SCHEMBL5322962

SCHEMBL5322962

O=CCc1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAOA P21397 6/20 0.44
MAOB P27338 6/20 0.44
CHRNA7 P36544 1/20 0.41
PTGIR P43119 1/20 0.40
RHEB Q15382 1/20 0.39
IDO1 P14902 3/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL453913 0.87 IDO1 (0.48) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5322371 0.81 GRM5 (0.40) MEN1KMT2AALDH1A1RHEBIDO1
SCHEMBL3825516 0.81 SLC6A4 (0.48) ALDH1A1MAOAMAOBCHRNA7HSD17B10
SCHEMBL5326848 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL4391356 0.80 MAOB (0.48) MEN1KMT2AALDH1A1MAOBIDO1
SCHEMBL5321798 0.77 TERT (0.35) ALDH1A1RHEB
SCHEMBL481976 0.76 MAOA (0.64) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9476350 0.76 MAOA (0.64) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9475224 0.76 MAOA (0.64) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5473166 0.75 CNR1 (0.40) MEN1KMT2AALDH1A1IDO1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed