SCHEMBL28996931

SCHEMBL28996931

C=CC(=O)N(C)c1ccc2c(c1)CCC2Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.41
▸ TGM2 P21980 1/20 0.38
▸ PDE2A O00408 1/20 0.36
▸ TEAD1 P28347 2/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL29366854 1.00 TRPV1 (0.41) TRPV1TGM2PDE2ATEAD1CCR2
SCHEMBL26332449 0.90 POLB (0.42) TRPV1EGFR
SCHEMBL29369435 0.90 POLB (0.42) TRPV1EGFR
SCHEMBL25414485 0.80 TGM2 (0.56) TRPV1TGM2TEAD1EGFR
SCHEMBL28997013 0.80 TGM2 (0.56) TRPV1TGM2TEAD1EGFR
SCHEMBL28996924 0.80 TGM2 (0.56) TRPV1TGM2TEAD1EGFR
SCHEMBL28996908 0.80 FFAR1 (0.49) TEAD1
SCHEMBL29369830 0.80 FFAR1 (0.49) TEAD1
SCHEMBL28997016 0.74 FFAR1 (0.44) EGFR
SCHEMBL29369580 0.74 FFAR1 (0.44) EGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116057042-A Acrylamide-substituted indane compounds and their therapeutic uses 赛诺菲 2023-05-02 — — CN claimed
CN-116057042-A Acrylamide-substituted indane compounds and their therapeutic uses 赛诺菲 2023-05-02 — — CN disclosed
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