SCHEMBL23938458

SCHEMBL23938458

CCC[C@]1(C(=O)NCc2cncc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.57
KCNH2 Q12809 11/20 0.57
TACR1 P25103 6/20 0.54

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
SCHEMBL18253086 0.88 CCR2 (0.60) CCR2KCNH2TACR1
SCHEMBL18252919 0.86 CCR2 (0.58) CCR2KCNH2TACR1
SCHEMBL18254931 0.86 CCR2 (0.58) CCR2KCNH2TACR1
SCHEMBL18244776 0.86 CCR2 (0.64) CCR2KCNH2TACR1
SCHEMBL18245003 0.86 CCR2 (0.64) CCR2KCNH2TACR1
SCHEMBL23938568 0.86 CCR2 (0.64) CCR2KCNH2TACR1
SCHEMBL23938471 0.80 CCR2 (0.70) CCR2KCNH2TACR1
SCHEMBL18255937 0.80 CCR2 (0.70) CCR2KCNH2TACR1
SCHEMBL18253095 0.80 CCR2 (0.70) CCR2KCNH2TACR1
SCHEMBL20013722 0.79 CCR2 (0.49) CCR2KCNH2TACR1

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