SCHEMBL6669102

SCHEMBL6669102

CN(C)CCOc1ccccc1-c1ccnc(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.65
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
HTR1B P28222 1/20 0.47
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
MAOB P27338 1/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL6673101 0.90 HTR7 (0.65) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL6669515 0.83 HTR7 (0.67) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL6668824 0.82 HTR7 (0.62) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL29904797 0.80 HTR7 (1.00) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL7755736 0.79 ADRA2A (0.40) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
Irampanel SCHEMBL678128 0.78 HTR7 (0.63) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL6670234 0.77 HTR7 (0.67) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL6668813 0.77 HTR7 (0.62) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
Irampanel SCHEMBL6879876 0.77 HTR7 (0.62) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL6562272 0.77 HTR7 (0.62) HTR7KDM4EALDH1A1SMN1; SMN2ADRB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077950-B1 NOVEL DIPHENYL-SUBSTITUTED 6-RING-HETEROCYCLES, METHODS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-09-22 EP disclosed
US-6235738-B1 BRAIN DISORDERS; ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-22 US disclosed
EP-1077950-A1 NOVEL DIPHENYL-SUBSTITUTED 6-RING-HETEROCYCLES, METHODS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-02-28 EP disclosed
WO-1999054311-A1 NOVEL DIPHENYL-SUBSTITUTED 6-RING-HETEROCYCLES, METHODS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed