SCHEMBL8303616

SCHEMBL8303616

N#Cc1ccc2[nH]cc(C3CCN(CC(=O)Nc4ccc(F)cc4)CC3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 17/20 0.59
HTR1B P28222 14/20 0.56
CHRM2 P08172 1/20 0.56
DRD2 P14416 1/20 0.56
NMT2 O60551 1/20 0.55
NMT1 P30419 1/20 0.55
HTR1A P08908 1/20 0.53
HTR1F P30939 1/20 0.53

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
SCHEMBL8303625 0.95 HTR1D (0.56) HTR1DHTR1BCHRM2DRD2NMT2
SCHEMBL8303265 0.93 HTR1D (0.52) HTR1DHTR1BCHRM2DRD2NMT2
SCHEMBL8304106 0.91 DRD4 (0.53) HTR1DHTR1B
SCHEMBL8299563 0.90 HTR1D (0.66) HTR1DHTR1BCHRM2DRD2NMT2
SCHEMBL8296910 0.88 HTR1D (0.49) HTR1DHTR1BCHRM2DRD2NMT2
SCHEMBL8572323 0.86 HTR1D (0.49) HTR1DHTR1BCHRM2DRD2NMT2
SCHEMBL8297273 0.85 HTR1D (0.62) HTR1DHTR1BCHRM2DRD2NMT2
SCHEMBL8300248 0.84 DRD2 (0.60) HTR1DHTR1BCHRM2DRD2
SCHEMBL8298661 0.82 MEN1 (0.50) HTR1DHTR1BHTR1AHTR1F
SCHEMBL8296828 0.79 DRD2 (0.56) HTR1DHTR1BCHRM2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1223650-A Piperidines and pyrrolidines MERCK PATENT GMBH (DE) 1999-07-21 CN disclosed
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO disclosed