SCHEMBL9034812

SCHEMBL9034812

COc1cccc2c(C(=O)NCCCN3CCC(c4c[nH]c5ccc(Cl)cc45)CC3)ccnc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 9/20 0.50
▸ HTR1D P28221 7/20 0.46
▸ HTR1B P28222 5/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ OPRL1 P41146 1/20 0.45

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
SCHEMBL9033135 0.95 CCR2 (0.49) CCR2
SCHEMBL9034903 0.92 CCR2 (0.53) CCR2DRD2
SCHEMBL9035493 0.91 CCR2 (0.49) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL9035552 0.89 KCNH2 (0.49) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL9034447 0.88 ADRA1D (0.50) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL9033599 0.88 CCR2 (0.47) CCR2DRD2
SCHEMBL9035662 0.88 CCR2 (0.48) CCR2DRD2
SCHEMBL9035279 0.88 CCR2 (0.46) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL9035293 0.87 CCR2 (0.49) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL8878418 0.86 CCR2 (0.56) CCR2DRD2OPRM1OPRK1OPRL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 — — EP disclosed
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