SCHEMBL23938462

SCHEMBL23938462

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.55
KCNH2 Q12809 10/20 0.55
TACR1 P25103 4/20 0.48
KMT2A Q03164 1/20 0.44
OPRL1 P41146 1/20 0.42
METAP2 P50579 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
SCHEMBL21900433 1.00 CCR2 (0.55) CCR2KCNH2TACR1KMT2AOPRL1
SCHEMBL18253111 1.00 CCR2 (0.55) CCR2KCNH2TACR1KMT2AOPRL1
SCHEMBL18253118 0.93 CCR2 (0.59) CCR2KCNH2TACR1METAP2
SCHEMBL18253094 0.91 CCR2 (0.57) CCR2KCNH2TACR1METAP2
SCHEMBL18253110 0.91 CCR2 (0.55) CCR2KCNH2TACR1OPRL1METAP2
SCHEMBL19443087 0.91 CCR2 (0.55) CCR2KCNH2TACR1OPRL1
SCHEMBL23938596 0.89 CCR2 (0.53) CCR2KCNH2TACR1OPRL1
SCHEMBL18253113 0.89 CCR2 (0.53) CCR2KCNH2TACR1OPRL1
SCHEMBL24433874 0.89 CCR2 (0.66) CCR2KCNH2TACR1
SCHEMBL23938467 0.89 CCR2 (0.59) 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