SCHEMBL20976572

SCHEMBL20976572

COC1COCCC1NC1CCN(C(=O)c2nc(CF)nc(N3CCc4ccc(C(F)(F)F)cc4C3)c2C)CC1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.80
CCR5 P51681 3/20 0.80
KCNH2 Q12809 1/20 0.52
CCR1 P32246 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL15081430 1.00 CCR2 (0.80) CCR2CCR5KCNH2CCR1TMEM97
SCHEMBL15081514 1.00 CCR2 (0.80) CCR2CCR5KCNH2CCR1TMEM97
SCHEMBL20976575 0.91 CCR2 (0.95) CCR2CCR5KCNH2CCR1TMEM97
SCHEMBL15081510 0.91 CCR2 (0.95) CCR2CCR5KCNH2CCR1TMEM97
SCHEMBL15081473 0.91 CCR2 (0.95) CCR2CCR5KCNH2CCR1TMEM97
SCHEMBL20976579 0.91 CCR2 (0.66) CCR2CCR5KCNH2TMEM97SIGMAR1
SCHEMBL20976592 0.91 CCR2 (0.66) CCR2CCR5KCNH2TMEM97SIGMAR1
SCHEMBL15081518 0.91 CCR2 (0.66) CCR2CCR5KCNH2TMEM97SIGMAR1
SCHEMBL15081541 0.91 CCR2 (0.66) CCR2CCR5KCNH2TMEM97SIGMAR1
SCHEMBL14945888 0.91 CCR2 (0.82) CCR2CCR5KCNH2CCR1TMEM97

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-2731941-B1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2019-05-08 EP disclosed