SCHEMBL5849353

SCHEMBL5849353

COc1cc(C)c(-c2cc3c4c(c2)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2N4CC3)cc1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.37
PDE4B Q07343 2/20 0.37
SCN9A Q15858 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CCR3 P51677 1/20 0.36
DPP4 P27487 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
PIK3CD O00329 3/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
USP30 Q70CQ3 1/20 0.34
STS P08842 1/20 0.33

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
SCHEMBL5418263 0.89 CCR3 (0.38) PDE4BHTR2AHTR2CHTR2BCCR3
SCHEMBL5847114 0.85 HTR2A (0.45) GPR119HTR2AHTR2CHTR2BCCR3
SCHEMBL5847616 0.84 HTR2A (0.46) GPR119HTR2AHTR2CHTR2BCCR3
SCHEMBL5847917 0.84 HTR2A (0.46) GPR119PDE4BHTR2AHTR2CHTR2B
SCHEMBL5849712 0.83 USP30 (0.39) GPR119CCR3PIK3CDUSP30
SCHEMBL5847910 0.82 PIK3CD (0.49) GPR119PDE4BCCR3PIK3CDPIK3CA
SCHEMBL5848229 0.82 NPC1 (0.40) GPR119PDE4BHTR2AHTR2CHTR2B
SCHEMBL5848059 0.82 USP30 (0.44) GPR119HTR2AHTR2CHTR2BUSP30
SCHEMBL5847872 0.81 PDE4B (0.40) GPR119PDE4BHTR2AHTR2CHTR2B
SCHEMBL5847313 0.80 HTR2A (0.51) GPR119PDE4BHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US claimed
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US disclosed