SCHEMBL7677981

SCHEMBL7677981

Cc1ccn(CC(=O)NCc2ccc3[nH]ccc3c2)c(=O)c1NC(CN)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.48
TRPA1 O75762 1/20 0.41
KMT2A Q03164 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
RORA P35398 1/20 0.37
NR5A1 Q13285 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
NLRP3 Q96P20 1/20 0.37
KLKB1 P03952 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
LCK P06239 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
SCHEMBL7677971 0.82 F2 (0.46) F2TRPA1ALDH1A1NLRP3
SCHEMBL7022618 0.82 F2 (0.56) F2TRPA1PRSS1PRSS2PRSS3
SCHEMBL7022614 0.82 F2 (0.56) F2TRPA1PRSS1PRSS2PRSS3
SCHEMBL7028108 0.74 F2 (0.56) F2TRPA1PRSS1PRSS2PRSS3
SCHEMBL7019506 0.71 F2 (0.55) F2TRPA1PRSS1PRSS2PRSS3
SCHEMBL7017912 0.71 F2 (0.69) F2PRSS1PRSS2PRSS3
SCHEMBL7311268 0.66 F2 (0.51) F2PRSS1PRSS2PRSS3
SCHEMBL7311273 0.66 F2 (0.51) F2PRSS1PRSS2PRSS3
SCHEMBL7311846 0.66 F2 (0.44) F2TRPA1PRSS1PRSS2PRSS3
SCHEMBL9717422 0.66 HDAC1 (0.51) F2TRPA1KMT2AKDM4EMAPT

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
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed