SCHEMBL23938467

SCHEMBL23938467

CC(C)C1(C(=O)NCc2cccc(C(C)(C)C)c2)CCC(N2CCC(c3ccc(F)cc3)CC2)CO1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.59
KCNH2 Q12809 11/20 0.59
TACR1 P25103 4/20 0.53
OPRL1 P41146 1/20 0.43

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
SCHEMBL18253090 1.00 CCR2 (0.59) CCR2KCNH2TACR1OPRL1
SCHEMBL18252940 0.94 CCR2 (0.66) CCR2KCNH2TACR1
SCHEMBL24433874 0.94 CCR2 (0.66) CCR2KCNH2TACR1
SCHEMBL18253110 0.90 CCR2 (0.55) CCR2KCNH2TACR1OPRL1
SCHEMBL19443087 0.89 CCR2 (0.55) CCR2KCNH2TACR1OPRL1
SCHEMBL23938462 0.89 CCR2 (0.55) CCR2KCNH2TACR1OPRL1
SCHEMBL21900433 0.89 CCR2 (0.55) CCR2KCNH2TACR1OPRL1
SCHEMBL18253111 0.89 CCR2 (0.55) CCR2KCNH2TACR1OPRL1
SCHEMBL18253085 0.89 CCR2 (0.75) CCR2KCNH2TACR1
SCHEMBL18253078 0.88 CCR2 (0.53) CCR2KCNH2TACR1OPRL1

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-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 EP disclosed