SCHEMBL8304245

SCHEMBL8304245

O=C(C1CCCCC1)N(CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1

nearest known ligand 0.59

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
▸ HSD11B1 P28845 2/20 0.56
▸ HTR1A P08908 6/20 0.52
▸ HTR7 P34969 5/20 0.52
▸ DRD2 P14416 5/20 0.51
▸ SLC6A4 P31645 4/20 0.51
▸ HTR6 P50406 3/20 0.51
▸ HTR1D P28221 1/20 0.50
▸ HTR2A P28223 4/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL8299533 0.96 HSD11B1 (0.60) OPRM1OPRK1OPRL1HSD11B1HTR1A
SCHEMBL8296250 0.90 HSD11B1 (0.62) OPRM1OPRK1OPRL1HSD11B1HTR1A
SCHEMBL8298191 0.88 HTR1A (0.56) OPRM1OPRK1OPRL1HSD11B1HTR1A
SCHEMBL8303863 0.87 RORC (0.48) OPRM1OPRK1OPRL1HTR7DRD2
SCHEMBL8296911 0.83 ADRA1D (0.55) OPRM1OPRK1OPRL1HSD11B1HTR1A
SCHEMBL8302073 0.83 SLC6A4 (0.46) HSD11B1SLC6A4HTR6KCNH2
SCHEMBL8299591 0.83 OPRM1 (0.56) OPRM1OPRK1OPRL1HSD11B1HTR1A
SCHEMBL8301506 0.82 HSD11B1 (0.51) OPRM1OPRK1OPRL1HSD11B1DRD2
SCHEMBL8575896 0.81 ADRA1D (0.50) OPRM1OPRK1OPRL1HSD11B1HTR7
SCHEMBL8296717 0.81 HTR1A (0.56) HTR1AHTR7DRD2SLC6A4HTR2A

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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