SCHEMBL8299591

SCHEMBL8299591

O=C(N1CCCCC1)N(CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ OPRL1 P41146 1/20 0.56
▸ HTR1D P28221 9/20 0.54
▸ ADRA1D P25100 2/20 0.54
▸ HSD11B1 P28845 1/20 0.54
▸ DRD2 P14416 4/20 0.53
▸ HTR2A P28223 3/20 0.53
▸ HTR7 P34969 3/20 0.53
▸ KCNH2 Q12809 2/20 0.53
▸ HTR1A P08908 3/20 0.52
▸ SLC6A4 P31645 3/20 0.52
▸ HTR1B P28222 6/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ HTR6 P50406 1/20 0.51

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
SCHEMBL8304063 0.93 ADRA1D (0.64) OPRM1OPRK1OPRL1HTR1DADRA1D
SCHEMBL27524757 0.91 HTR1D (0.49) OPRM1OPRK1OPRL1HTR1DADRA1D
SCHEMBL8303406 0.88 ADRA1D (0.58) OPRM1OPRK1OPRL1HTR1DADRA1D
SCHEMBL8296768 0.87 HSD11B1 (0.48) OPRM1OPRK1OPRL1HTR1DHSD11B1
SCHEMBL8299874 0.87 OPRM1 (0.50) OPRM1OPRK1OPRL1HTR1DADRA1D
SCHEMBL27492957 0.86 ADRA1D (0.53) HTR1DADRA1DDRD2HTR2AHTR7
SCHEMBL8296250 0.84 HSD11B1 (0.62) OPRM1OPRK1OPRL1HTR1DADRA1D
SCHEMBL8304245 0.83 OPRM1 (0.56) OPRM1OPRK1OPRL1HTR1DADRA1D
SCHEMBL8296056 0.81 ADRA1D (0.48) OPRM1OPRK1OPRL1HTR1DADRA1D
SCHEMBL8303699 0.80 ADRA1D (0.57) HTR1DADRA1DDRD2HTR2AHTR7

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
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