SCHEMBL8303863

SCHEMBL8303863

N#Cc1ccc2[nH]cc(C3CCN(CCN(C(=O)C4CCCCC4)c4ccccc4)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.48
▸ SLC6A4 P31645 5/20 0.47
▸ ACHE P22303 1/20 0.46
▸ KCNH2 Q12809 5/20 0.45
▸ HTR6 P50406 3/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ CCR2 P41597 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ OPRL1 P41146 1/20 0.44
▸ HTR2A P28223 3/20 0.44
▸ HTR7 P34969 3/20 0.44
▸ DRD2 P14416 2/20 0.44

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
SCHEMBL8302073 0.96 SLC6A4 (0.46) RORCSLC6A4ACHEKCNH2HTR6
SCHEMBL8301506 0.88 HSD11B1 (0.51) RORCSLC6A4OPRM1OPRK1OPRL1
SCHEMBL8304245 0.87 OPRM1 (0.56) SLC6A4KCNH2HTR6OPRM1OPRK1
SCHEMBL8575896 0.85 ADRA1D (0.50) SLC6A4KCNH2OPRM1OPRK1OPRL1
SCHEMBL8299533 0.83 HSD11B1 (0.60) SLC6A4ACHEHTR6OPRM1OPRK1
SCHEMBL8299572 0.82 HSD11B1 (0.45) RORCSLC6A4KCNH2OPRM1OPRK1
SCHEMBL27524757 0.81 HTR1D (0.49) SLC6A4KCNH2OPRM1OPRK1OPRL1
SCHEMBL8296250 0.78 HSD11B1 (0.62) SLC6A4KCNH2HTR6OPRM1OPRK1
SCHEMBL8296768 0.77 HSD11B1 (0.48) SLC6A4KCNH2HTR6OPRM1OPRK1
SCHEMBL8298191 0.76 HTR1A (0.56) OPRM1OPRK1OPRL1HTR2AHTR7

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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