SCHEMBL5403580

SCHEMBL5403580

Cc1ccc(CNC(=O)Nc2ccc3c(C(=O)N[C@H]4CN5CCC4CC5)snc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.44
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
CHRNA7 P36544 6/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL5984586 0.93 HTR3A (0.54) HTR3ASMN1; SMN2CHRNA7TP53
SCHEMBL5415044 0.87 HTR3A (0.48) HTR3ARAB9ACHRNA7
SCHEMBL1963490 0.85 HTR3A (0.49) HTR3ANPC1SMN1; SMN2RAB9ACHRNA7
SCHEMBL12044747 0.85 HTR3A (0.49) HTR3ANPC1SMN1; SMN2RAB9ACHRNA7
SCHEMBL5402371 0.85 HTR3A (0.42) HTR3ANPC1RAB9ACHRNA7MAPT
SCHEMBL5984302 0.84 HTR3A (0.54) HTR3ANPC1RAB9ACHRNA7MAPT
SCHEMBL5402828 0.84 CHRNA7 (0.57) HTR3ACHRNA7
SCHEMBL5411054 0.82 CHRNA7 (0.48) HTR3ACHRNA7
SCHEMBL5399267 0.80 HTR3A (0.49) HTR3ACHRNA7
SCHEMBL5407219 0.79 CHRNA7 (0.42) HTR3ACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007530590-A 2007-11-01 JP claimed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP claimed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO claimed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed