SCHEMBL8301506

SCHEMBL8301506

N#Cc1ccc2[nH]cc(C3CCN(CCN(C(=O)C4CCCCC4)c4ccc(F)cc4)C3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.51
▸ OPRM1 P35372 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ OPRL1 P41146 1/20 0.45
▸ SLC6A4 P31645 3/20 0.45
▸ HTR1D P28221 10/20 0.44
▸ HTR1B P28222 7/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ RORC P51449 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
SCHEMBL8299572 0.94 HSD11B1 (0.45) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL8302073 0.92 SLC6A4 (0.46) HSD11B1SLC6A4RORC
SCHEMBL8296250 0.91 HSD11B1 (0.62) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL8296768 0.90 HSD11B1 (0.48) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL8575896 0.90 ADRA1D (0.50) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL8303863 0.88 RORC (0.48) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL8299533 0.86 HSD11B1 (0.60) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL8296911 0.86 ADRA1D (0.55) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL27524757 0.86 HTR1D (0.49) OPRM1OPRK1OPRL1SLC6A4HTR1D
SCHEMBL8296056 0.83 ADRA1D (0.48) HSD11B1OPRM1OPRK1OPRL1SLC6A4

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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