SCHEMBL4376888

SCHEMBL4376888

CC(C)c1cccc(NC(=O)c2cncc(C3CCCN3C(C)(C)C)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ ACKR3 P25106 5/20 0.43
▸ CBLB Q13191 4/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDR P35968 2/20 0.41
▸ RPS6KA2 Q15349 1/20 0.40
▸ USP36 Q9P275 1/20 0.40
▸ PDGFRB P09619 1/20 0.40

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
SCHEMBL4376910 0.88 SCN2A (0.52) —
SCHEMBL4375164 0.87 SCN2A (0.40) ACKR3
SCHEMBL2065546 0.71 KDR (0.40) CBLBKDRPDGFRB
SCHEMBL2065544 0.71 KDR (0.40) CBLBKDRPDGFRB
SCHEMBL1135876 0.70 — —
SCHEMBL24775458 0.69 RIPK1 (0.40) TRPM8TRPV1
SCHEMBL21695727 0.65 ACKR3 (0.55) ACKR3KDR
SCHEMBL21133250 0.64 FADS1 (0.56) CBLBCSF1RKDRUSP36PDGFRB
SCHEMBL21348782 0.63 CBLB (0.53) ACKR3CBLB
SCHEMBL15238443 0.63 MEN1 (0.75) CSF1RKDRUSP36

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-2285810-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF Abbott Laboratories (US) 2011-02-23 — — EP disclosed
WO-2009137308-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-12 — — WO disclosed
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