SCHEMBL25812812

SCHEMBL25812812

C=C(CCNC(=O)c1ccc(OC(F)(F)F)nc1)NC(=O)COc1ccc(Cl)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.45
▸ ATF4 P18848 9/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ GCGR P47871 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL22627559 0.94 ATF4 (0.41) TRPV1ATF4TDP1GCGREPHX2
SCHEMBL22627577 0.90 KMT2A (0.43) TRPV1ATF4TDP1L3MBTL1
SCHEMBL25798242 0.89 TRPV1 (0.57) TRPV1ATF4GCGRL3MBTL1
SCHEMBL22627742 0.89 TDP1 (0.51) TRPV1TDP1GCGREPHX2L3MBTL1
SCHEMBL22956410 0.88 TDP1 (0.39) ATF4TDP1L3MBTL1
SCHEMBL25813464 0.88 ATF4 (0.41) TRPV1ATF4TDP1L3MBTL1
SCHEMBL22627852 0.87 TRPV1 (0.43) TRPV1TDP1EPHX2
SCHEMBL22627974 0.87 TDP1 (0.51) TRPV1ATF4TDP1EPHX2
SCHEMBL22956229 0.87 TDP1 (0.42) TRPV1ATF4TDP1L3MBTL1
SCHEMBL25796793 0.87 TDP1 (0.53) TRPV1ATF4TDP1

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-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
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