SCHEMBL7677971

SCHEMBL7677971

NCC(Cc1ccccc1)NCc1cccn(CC(=O)NCc2ccc3[nH]ccc3c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.46
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ERAP2 Q6P179 3/20 0.38
IL1RN P18510 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL7677981 0.82 F2 (0.48) F2TRPA1ALDH1A1NLRP3
SCHEMBL7022618 0.76 F2 (0.56) F2TRPA1
SCHEMBL7022614 0.76 F2 (0.56) F2TRPA1
SCHEMBL7028108 0.70 F2 (0.56) F2TRPA1
SCHEMBL7019506 0.67 F2 (0.55) F2TRPA1
SCHEMBL7017912 0.67 F2 (0.69) F2
SCHEMBL7311273 0.66 F2 (0.51) F2
SCHEMBL7311268 0.66 F2 (0.51) F2
SCHEMBL9717422 0.64 HDAC1 (0.51) F2TRPA1ALDH1A1NLRP3
SCHEMBL7311283 0.64 F2 (0.57) F2

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