SCHEMBL8296789

SCHEMBL8296789

Fc1ccc2[nH]cc(C3CCN(CCNc4ccccc4)CC3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.62
HTR7 P34969 7/20 0.62
OPRM1 P35372 2/20 0.60
OPRK1 P41145 2/20 0.60
OPRL1 P41146 2/20 0.60
SLC6A4 P31645 8/20 0.58
DRD2 P14416 5/20 0.58
HTR6 P50406 4/20 0.58
HTR1D P28221 1/20 0.57
HTR2A P28223 3/20 0.56
KCNH2 Q12809 1/20 0.56

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 0.93 HTR1A (0.60) HTR1AHTR7OPRM1OPRK1OPRL1
SCHEMBL8302931 0.87 OPRM1 (0.56) HTR1AHTR7OPRM1OPRK1OPRL1
SCHEMBL8299871 0.86 HTR1A (0.57) HTR1AHTR7OPRM1OPRK1OPRL1
SCHEMBL8303317 0.85 SLC6A4 (0.54) OPRM1OPRK1OPRL1SLC6A4HTR6
SCHEMBL29534522 0.85 HTR1A (0.56) HTR1AHTR7OPRM1OPRK1OPRL1
SCHEMBL7529023 0.84 HTR1A (0.64) HTR1AHTR7OPRM1OPRK1OPRL1
SCHEMBL8303049 0.84 DRD2 (0.67) HTR1AHTR7OPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL9030489 0.83 HTR1A (0.63) HTR1AHTR7OPRM1OPRK1OPRL1
SCHEMBL8298953 0.82 HTR1A (0.50) HTR1AHTR7OPRM1OPRK1OPRL1
SCHEMBL8877428 0.82 OPRM1 (0.67) HTR1AHTR7OPRM1OPRK1OPRL1

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