SCHEMBL8302931

SCHEMBL8302931

Fc1cccc(NCCN2CCC(c3c[nH]c4ccc(F)cc34)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.56
OPRK1 P41145 2/20 0.56
OPRL1 P41146 2/20 0.56
HTR1A P08908 6/20 0.55
HTR7 P34969 4/20 0.55
HTR1D P28221 6/20 0.51
SLC6A4 P31645 5/20 0.51
HSD11B1 P28845 2/20 0.50
DRD2 P14416 4/20 0.49
HTR6 P50406 2/20 0.49
HTR2A P28223 1/20 0.49
HTR1B P28222 4/20 0.49
CHRM2 P08172 1/20 0.48

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
SCHEMBL8443108 0.95 HTR1A (0.60) OPRM1OPRK1OPRL1HTR1AHTR7
SCHEMBL8298849 0.92 DRD2 (0.60) OPRM1OPRK1OPRL1HTR1AHTR7
SCHEMBL8298238 0.90 SLC6A4 (0.47) OPRM1OPRK1OPRL1HTR1AHTR7
SCHEMBL8296789 0.87 HTR1A (0.62) OPRM1OPRK1OPRL1HTR1AHTR7
SCHEMBL8303049 0.86 DRD2 (0.67) OPRM1OPRK1OPRL1HTR1AHTR7
SCHEMBL8298953 0.84 HTR1A (0.50) OPRM1OPRK1OPRL1HTR1AHTR7
SCHEMBL29534522 0.84 HTR1A (0.56) OPRM1OPRK1OPRL1HTR1AHTR7
SCHEMBL8297151 0.84 SLC6A4 (0.48) OPRM1OPRK1OPRL1HTR1AHTR7
SCHEMBL8572323 0.82 HTR1D (0.49) HTR1AHTR1DDRD2HTR1BCHRM2
SCHEMBL8442346 0.81 OPRM1 (0.56) OPRM1OPRK1OPRL1HTR1AHTR7

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
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