SCHEMBL23938457

SCHEMBL23938457

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.42
KCNH2 Q12809 3/20 0.42
CCR2 P41597 2/20 0.42
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL23938455 0.88 TACR1 (0.43) TACR1KCNH2CCR2KDM4EMEN1
SCHEMBL18244998 0.81 TACR1 (0.46) TACR1KCNH2CCR2KDM4EMEN1
SCHEMBL18252874 0.79 KCNH2 (0.48) TACR1KCNH2CCR2KDM4EMEN1
SCHEMBL18244997 0.78 TACR1 (0.44) TACR1KCNH2CCR2KDM4EMEN1
SCHEMBL23938458 0.77 CCR2 (0.57) TACR1KCNH2CCR2
SCHEMBL18244949 0.76 TACR1 (0.45) TACR1KCNH2CCR2MEN1KMT2A
SCHEMBL24433859 0.76 TACR1 (0.43) TACR1KCNH2CCR2KDM4EMEN1
SCHEMBL21900422 0.76 TACR1 (0.43) TACR1KCNH2CCR2KDM4EMEN1
SCHEMBL19443100 0.76 TACR1 (0.43) TACR1KCNH2CCR2KDM4EMEN1
SCHEMBL23938481 0.75 KCNH2 (0.50) TACR1KCNH2CCR2

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