SCHEMBL6640969

SCHEMBL6640969

Cn1cc(C2CCC(=O)CC2)c2cc(OCc3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
AS3MT Q9HBK9 1/20 0.43
SRD5A2 P31213 1/20 0.42
HTR3A P46098 1/20 0.41
MCHR1 Q99705 2/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
GRM5 P41594 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL6638973 0.81 ADRB2 (0.45) ALDH1A1
SCHEMBL6663571 0.76 LMNA (0.51) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL29548854 0.75 EPHB3 (0.48) MAOBNPC1RAB9AHRH3MCHR1
SCHEMBL6636952 0.74 DRD2 (0.64) ALDH1A1
SCHEMBL4328766 0.73 MEN1 (0.61) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL9449110 0.72 FDFT1 (0.45) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL7387644 0.72 SRD5A2 (0.50) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL4331848 0.72 MRGPRX4 (0.56) MAOBRAB9AHRH3L3MBTL1SMN1; SMN2
SCHEMBL7842572 0.72 TRPM8 (0.54) MAOBAS3MTPKML3MBTL1ALDH1A1
SCHEMBL2176044 0.71 MEN1 (0.53) MAOBNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147083-B1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-06-16 EP disclosed
US-6465482-B2 ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; SEROTONIN-AFFECTED NERVOUS SYSTEM DISORDERS; ACTING AT THE 5-HT1A AUTORECEPTORS CONCOMMITANTLY WITH 5-HT TRANSPORTERS; ANTISEROTONIN AGENTS; SEROTONIN REUPTAKE INHIBITORS; HT3 RECEPTOR ANTAGONISTS WYETH 2002-10-15 US disclosed
US-6313126-B1 FOR THRERAPY OF DISORDERS ASSOCIATED WITH DYSFUNCTION IN SEROTONERGIC NEUROTRANSMISSION, INCLUDING DEPRESSION AND ANXIETY AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed