SCHEMBL8296768

SCHEMBL8296768

N#Cc1ccc2[nH]cc(C3CCN(CCN(C(=O)N4CCCCC4)c4ccc(F)cc4)C3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.48
▸ SLC6A4 P31645 3/20 0.47
▸ HTR1D P28221 8/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ OPRL1 P41146 1/20 0.44
▸ HTR1B P28222 5/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ HTR2A P28223 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR6 P50406 1/20 0.42

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
SCHEMBL27524757 0.96 HTR1D (0.49) SLC6A4HTR1DOPRM1OPRK1OPRL1
SCHEMBL8296056 0.94 ADRA1D (0.48) HSD11B1SLC6A4HTR1DOPRM1OPRK1
SCHEMBL8301506 0.90 HSD11B1 (0.51) HSD11B1SLC6A4HTR1DOPRM1OPRK1
SCHEMBL27492957 0.90 ADRA1D (0.53) SLC6A4HTR1DHTR1BDRD2CHRM2
SCHEMBL8299591 0.87 OPRM1 (0.56) HSD11B1SLC6A4HTR1DOPRM1OPRK1
SCHEMBL8303406 0.86 ADRA1D (0.58) HSD11B1SLC6A4HTR1DOPRM1OPRK1
SCHEMBL8299572 0.83 HSD11B1 (0.45) HSD11B1SLC6A4HTR1DOPRM1OPRK1
SCHEMBL8302073 0.82 SLC6A4 (0.46) HSD11B1SLC6A4KCNH2HTR6
SCHEMBL8304063 0.81 ADRA1D (0.64) SLC6A4HTR1DOPRM1OPRK1OPRL1
SCHEMBL8435995 0.81 ADRA1D (0.46) SLC6A4HTR1DHTR1BDRD2CHRM2

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
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