SCHEMBL4784418

SCHEMBL4784418

CCOC(=O)c1sc(N2CCC(N3CCc4ccccc4NC3=O)CC2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE5A O76074 1/20 0.41
CALCRL Q16602 11/20 0.41
HTR1A P08908 3/20 0.40
RAMP1 O60894 2/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 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
SCHEMBL4782585 0.88 PIK3CD (0.45) CALCRLRAMP1
SCHEMBL14205003 0.87 CALCRL (0.41) CALCRLRAMP1
SCHEMBL14204999 0.87 KDM4E (0.44) CHRM4CHRM1MEN1ALDH1A1MAPT
SCHEMBL14204998 0.84 KMT2A (0.45) MEN1ALDH1A1MAPTKMT2ATSHR
SCHEMBL14204676 0.83 CALCRL (0.47) CALCRLRAMP1
SCHEMBL14204681 0.83 CALCRL (0.41) CALCRLRAMP1
SCHEMBL14205348 0.83 CALCRL (0.40) CHRM4CHRM1CALCRLRAMP1
SCHEMBL14204691 0.83 CALCRL (0.41) CALCRLRAMP1
SCHEMBL14205004 0.83 CALCRL (0.41) CHRM4CHRM1CALCRLRAMP1
SCHEMBL14205743 0.83 HTR2C (0.43) CALCRLRAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008070014-A2 BIARYL KETONE-SUBSTITUTED PIPERIDINES NEUROGEN CORPORATION (US) 2008-06-12 WO disclosed
WO-2008070014-A2 BIARYL KETONE-SUBSTITUTED PIPERIDINES NEUROGEN CORPORATION (US) 2008-06-12 WO disclosed
WO-2008060568-A2 AMIDE-SUBSTITUTED ARYL PIPERIDINES NEUROGEN CORPORATION (US) 2008-05-22 WO disclosed
WO-2008060568-A2 AMIDE-SUBSTITUTED ARYL PIPERIDINES NEUROGEN CORPORATION (US) 2008-05-22 WO disclosed