SCHEMBL18901554

SCHEMBL18901554

CC(C)[C@@]1(C(=O)N2CC=C(c3cc(C(F)(F)F)ccn3)CC2)C=C(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.39
▸ SYK P43405 2/20 0.37
▸ TRPV1 Q8NER1 6/20 0.36
▸ WNT3A P56704 1/20 0.35
▸ GRM1 Q13255 7/20 0.35
▸ GRM5 P41594 6/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ SCN5A Q14524 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK13 Q14004 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34

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
SCHEMBL13334980 0.79 CCR2 (0.54) CCR2
SCHEMBL4152429 0.77 GRM1 (0.54) SYKWNT3AGRM1GRM5SCN9A
SCHEMBL13627676 0.72 CDK9 (0.37) SYKTRPV1WNT3AGRM1GRM5
SCHEMBL13741759 0.72 CCR2 (0.52) CCR2
SCHEMBL3322631 0.72 CCR2 (0.52) CCR2
SCHEMBL18901551 0.72 SYK (0.46) SYKTRPV1WNT3AGRM1GRM5
SCHEMBL3327341 0.71 CCR2 (0.57) CCR2
SCHEMBL4137979 0.71 CCR2 (0.49) CCR2
SCHEMBL3021208 0.71 CCR2 (0.54) CCR2
SCHEMBL3326632 0.71 TRPV1 (0.43) TRPV1

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-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 — — EP disclosed
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