SCHEMBL25844260

SCHEMBL25844260

COc1cccc(F)c1/C(=N/O)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.48
TRPA1 O75762 7/20 0.44
TRPV1 Q8NER1 3/20 0.43
MALT1 Q9UDY8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL25844259 0.82 TRPA1 (0.48) RBP4TRPA1TRPV1
SCHEMBL23064385 0.82 TRPA1 (0.51) TRPA1TRPV1KDM4EHSD17B10KCNH2
SCHEMBL23064386 0.82 TRPA1 (0.51) TRPA1TRPV1KDM4EHSD17B10KCNH2
SCHEMBL26814990 0.82 P2RY12 (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL23283045 0.82 P2RY12 (0.47)
SCHEMBL24835211 0.74 P2RY12 (0.47) HPGD
SCHEMBL30633886 0.70 TRPA1 (0.52) RBP4TRPA1TRPV1MALT1HSD17B10
SCHEMBL23064252 0.70 TRPA1 (0.52) RBP4TRPA1TRPV1MALT1HSD17B10
SCHEMBL4321939 0.68 RBP4 (0.51) RBP4MALT1KDM4EALDH1A1
SCHEMBL23733258 0.68 P2RY12 (0.49)

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
WO-2023163203-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING RENAL DISEASE 国立大学法人大阪大学 2023-08-31 WO disclosed
WO-2023132208-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING HEART FAILURE 国立大学法人大阪大学 2023-07-13 WO disclosed