SCHEMBL9033135

SCHEMBL9033135

COc1cccc2c(C(=O)NCCCN3CCC(c4c[nH]c5cc(Cl)ccc45)CC3)ccnc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 14/20 0.49
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 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
SCHEMBL9034812 0.95 CCR2 (0.50) CCR2
SCHEMBL9034447 0.92 ADRA1D (0.50) CCR2
SCHEMBL9033599 0.92 CCR2 (0.47) CCR2TP53MAPT
SCHEMBL9035293 0.91 CCR2 (0.49) CCR2
SCHEMBL9033156 0.90 CCR2 (0.50) CCR2
SCHEMBL9036402 0.90 CCR2 (0.48) CCR2
SCHEMBL9034903 0.88 CCR2 (0.53) CCR2
SCHEMBL9035662 0.88 CCR2 (0.48) CCR2MAPT
SCHEMBL9035493 0.87 CCR2 (0.49) CCR2
SCHEMBL9035552 0.86 KCNH2 (0.49) CCR2

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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