SCHEMBL23796136

SCHEMBL23796136

CC(C)NC(=O)c1cnc2c(-c3ccc(C(F)(F)F)cc3)cc(F)c(F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
ALOX5AP P20292 7/20 0.42
FEN1 P39748 7/20 0.42
HDAC4 P56524 1/20 0.41
ANPEP P15144 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
CNR1 P21554 1/20 0.39
MLYCD O95822 1/20 0.39
MAP4K4 O95819 2/20 0.39
MINK1 Q8N4C8 2/20 0.39
TNIK Q9UKE5 2/20 0.39
XDH P47989 2/20 0.38
GABRA5 P31644 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL30290029 1.00 NPSR1 (0.44) NPSR1ALOX5APFEN1HDAC4ANPEP
SCHEMBL23796198 0.84 MRGPRX4 (0.43) NPSR1ALOX5APFEN1HDAC4CNR1
SCHEMBL30290051 0.84 MRGPRX4 (0.43) NPSR1ALOX5APFEN1HDAC4CNR1
SCHEMBL30290061 0.84 SCN9A (0.51) MAP4K4
SCHEMBL23796208 0.84 SCN9A (0.51) MAP4K4
SCHEMBL22559108 0.84 NPSR1 (0.42) NPSR1ANPEPMLYCDKDRMRGPRX4
SCHEMBL29755055 0.84 NPSR1 (0.42) NPSR1ANPEPMLYCDKDRMRGPRX4
SCHEMBL23796108 0.83 MAP4K4 (0.49) ALOX5APFEN1AKR1C3AKR1C2MAP4K4
SCHEMBL30289999 0.83 MAP4K4 (0.49) ALOX5APFEN1AKR1C3AKR1C2MAP4K4
SCHEMBL23796090 0.79 NPSR1 (0.51) NPSR1HDAC4CNR1MLYCDMRGPRX4

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
EP-3877356-A1 BICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-09-15 EP disclosed
CN-113302175-A Bicyclic compounds 维瓦斯治疗公司 2021-08-24 CN disclosed