SCHEMBL18801722

SCHEMBL18801722

CC1=C(C(=O)N2CCCCC2c2ccc(CN3C(C)CCC3C)cc2)C(F)=CCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 3/20 0.36
POLB P06746 1/20 0.36
CCNC P24863 7/20 0.36
CDK8 P49336 7/20 0.36
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL24522190 0.84 TMEM97 (0.39) SMN1; SMN2HPGDPOLBCCNCCDK8
SCHEMBL18801701 0.78 SMN1; SMN2 (0.41) SMN1; SMN2HPGDPOLBCCNCCDK8
SCHEMBL18801728 0.70 CHRNB2 (0.49)
SCHEMBL18801607 0.67 HPGD (0.42) SMN1; SMN2HPGDKMT2AGAAHSD17B10
SCHEMBL24522216 0.64 SMN1; SMN2 (0.53) SMN1; SMN2HPGDPOLBKMT2A
SCHEMBL17805452 0.62 GPBAR1 (0.40) SMN1; SMN2
SCHEMBL2707270 0.62 CCNC (0.50) SMN1; SMN2CCNCCDK8KMT2A
SCHEMBL3666059 0.61 RIPK1 (0.44) SMN1; SMN2HPGD
SCHEMBL24522211 0.60 SMN1; SMN2 (0.39) SMN1; SMN2HPGDKMT2A
SCHEMBL29892279 0.60 CCNC (0.51) SMN1; SMN2CCNCCDK8KMT2A

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