SCHEMBL14458662

SCHEMBL14458662

N=Cc1ccc(N2CCn3cc(-c4ccc(Cl)cc4)cc3C2=O)cc1NCCN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ DRD2 P14416 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ ACP1 P24666 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ ACHE P22303 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2B P41595 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
SCHEMBL12531999 0.76 HTR2C (0.51) MCHR1HTR2CDRD3KCNH2HTR2A
SCHEMBL12531977 0.75 LTA4H (0.52) MCHR1HTR2CKCNH2HTR2AHTR2B
SCHEMBL12532102 0.73 MCHR1 (0.47) MCHR1HTR2CDRD2DRD3KCNH2
SCHEMBL12531980 0.73 MCHR1 (0.64) MCHR1
SCHEMBL12531976 0.73 MCHR1 (0.54) MCHR1HTR2CDRD2DRD3
SCHEMBL12531954 0.72 MCHR1 (0.62) MCHR1HTR2CDRD3KCNH2SIGMAR1
SCHEMBL12531994 0.72 HTR2C (0.65) MCHR1HTR2CDRD3KCNH2HTR2A
SCHEMBL12531987 0.72 TMEM97 (0.50) MCHR1HTR2CDRD2DRD3SIGMAR1
SCHEMBL4899236 0.71 HTR2C (0.56) MCHR1HTR2CKCNH2HTR2AHTR2B
SCHEMBL12532001 0.71 MCHR1 (0.57) MCHR1HTR2CDRD3KCNH2SIGMAR1

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-2007092416-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 — — WO disclosed
Send feedback