SCHEMBL18801701

SCHEMBL18801701

Cc1cccc(F)c1C(=O)N1CCCCC1c1ccc(CN2C(C)CCC2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
GPBAR1 Q8TDU6 5/20 0.40
HPGD P15428 2/20 0.39
CCR5 P51681 1/20 0.36
PREP P48147 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
EED O75530 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL18532583 0.83 GPBAR1 (0.49) GPBAR1LMNACCNCCDK8
SCHEMBL17805431 0.83 GPBAR1 (0.49) GPBAR1LMNACCNCCDK8
SCHEMBL26006171 0.82 PREP (0.46) GPBAR1PREPLMNACCNCCDK8
SCHEMBL17805403 0.82 RIPK1 (0.38) GPBAR1PREPLMNA
SCHEMBL17805452 0.82 GPBAR1 (0.40) SMN1; SMN2GPBAR1PREP
SCHEMBL24045646 0.79 GPBAR1 (0.42) GPBAR1CCR5PREPLMNACCNC
SCHEMBL22043704 0.79 GPBAR1 (0.42) GPBAR1CCR5PREPLMNACCNC
SCHEMBL30103461 0.79 GPBAR1 (0.42) GPBAR1CCR5PREPLMNACCNC
SCHEMBL18801722 0.78 SMN1; SMN2 (0.39) SMN1; SMN2HPGDPOLBCCNCCDK8
SCHEMBL18609682 0.78 RIPK1 (0.46) GPBAR1PREPLMNA

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-2585064-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2017-05-03 EP disclosed