SCHEMBL9500830

SCHEMBL9500830

COc1ccc(C(=O)c2ncc[nH]2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
BRAF P15056 1/20 0.50
HDAC1 Q13547 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 2/20 0.49
RAB9A P51151 5/20 0.46
ABCG2 Q9UNQ0 2/20 0.45
MAPT P10636 3/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RAD52 P43351 1/20 0.44
TNFRSF1A P19438 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL285924 0.78 NPC1 (0.79) NPC1KMT2AMEN1LMNACYP1A2
SCHEMBL31575666 0.78 NPC1 (0.79) NPC1KMT2AMEN1LMNACYP1A2
SCHEMBL16078339 0.77 HPGDS (0.60) NPC1HDAC1KMT2AMEN1LMNA
SCHEMBL697260 0.76 NPC1 (0.50) NPC1BRAFHDAC1KMT2AGAA
SCHEMBL7502109 0.76 ABCG2 (0.62) NPC1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL7502106 0.76 ABCG2 (0.62) NPC1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL28007494 0.75 KMT2A (0.54) NPC1BRAFHDAC1KMT2AMEN1
SCHEMBL8000867 0.73 NPC1 (0.57) NPC1HDAC1KMT2AMEN1LMNA
SCHEMBL5902231 0.72 NPC1 (1.00) NPC1KMT2AMEN1LMNACYP1A2
SCHEMBL29414999 0.72 NPC1 (1.00) NPC1KMT2AMEN1LMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190920-B1 METHOD OF ENHANCING MEMORY OR CORRECTING MEMORY DEFICIENCY WITH ARYLAMIDO (AND ARYLTHIOAMIDO)AZABICYCLOALKANES SYNTHELABO (FR) 1993-05-05 EP disclosed
EP-0306345-B1 2-ALKOXY-N-(1-AZABICYCLO(2.2.2)-OCT-3-YL) BENZAMIDES AND THIOBENZAMIDES HAVING AN ANTISCHIZOPHRENIC ACTIVITY SYNTHELABO (FR) 1993-04-14 EP disclosed
EP-0327335-B1 ARYLAMIDO(AND ARYLTHIOAMIDO)-AZABICYCLOALKANES FOR ENHANCING MEMORY OR CORRECTING MEMORY DEFICIENCY SYNTHELABO (FR) 1992-10-14 EP disclosed
US-4877794-A 2-Alkoxy-n-(1-azabicyclo(2.2.2)oct-3-yl) benzamide and thiobenzamide compositions and the use thereof to treat schizophrenia A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-31 US disclosed
US-4863919-A Method of enhancing memory or correcting memory deficiency with arylamido(and arylthiomido)-azabicycloalkanes A. H. ROBINS COMPANY, INCORPORATED (US) 1989-09-05 US disclosed
EP-0327335-A1 Arylamido(and arylthioamido)-azabicycloalkanes for enhancing memory or correcting memory deficiency SYNTHELABO (FR) 1989-08-09 EP disclosed
EP-0306345-A2 2-Alkoxy-n-(1-azabicyclo(2.2.2)-oct-3-yl) benzamides and thiobenzamides having an antischizophrenic activity SYNTHELABO (FR) 1989-03-08 EP disclosed
US-4722834-A Method of using 2-alkoxy-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamide-N-oxides to control emesis caused by anticancer drugs A. H. ROBINS COMPANY, INCORPORATED (US) 1988-02-02 US disclosed
US-4717563-A 2-alkoxy-N-(1-azabicyclo(2.2.2)oct-3-yl) benzamides and thiobenzamides in a method for alleviating emesis caused by non-platinum anticancer drugs A. H. ROBINS COMPANY, INC. (US) 1988-01-05 US disclosed
EP-0240180-A1 2-alkoxy-N-(1-azabicyclo[2.2.2]-oct-3-yl) benzamides and thiobenzamides in the alleviation of emesis caused by non-platinum anticancer drugs SYNTHELABO (FR) 1987-10-07 EP disclosed
EP-0237281-A1 2-alkoxy-N-(1-azabicyclo[2.2.2]-oct-3-yl) benzamide-N-oxides in the control of emesis caused by anticancer drugs SYNTHELABO (FR) 1987-09-16 EP disclosed
US-4605652-A ALZHEIMER'S DISEASE; SENILITY A. H. ROBINS COMPANY, INC. (US) 1986-08-12 US disclosed
US-4593034-A 2-alkoxy-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamides and thiobenzamides A. H. ROBINS COMPANY, INC. (US) 1986-06-03 US disclosed
EP-0158532-A2 Use of 4-amino-N-(1-azabicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxybenzamide for the manufacture of a medicament having anti-emetic activity. SYNTHELABO (FR) 1985-10-16 EP disclosed