SCHEMBL24633486

SCHEMBL24633486

CC(Cl)[C@H](C)n1cc(C(F)(F)F)nn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
NOTUM Q6P988 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL22077974 0.81 ACHE (0.36) GABRA2GABRB2AR
SCHEMBL22924927 0.73
SCHEMBL18367588 0.69 GABRA2 (0.36) GABRA2GABRB2
SCHEMBL25009052 0.68 ACHE (0.35) GABRA2GABRB2AR
SCHEMBL20215059 0.68 GABRA2 (0.35) GABRA2GABRB2
SCHEMBL9537466 0.66 ALDH1A1 (0.34) GABRA2GABRB2AR
SCHEMBL15255587 0.66 AR (0.36) GABRA2GABRB2AR
SCHEMBL20462216 0.66
SCHEMBL18623671 0.65 AR (0.39) GABRA2GABRB2AR
SCHEMBL12985093 0.63 AR (0.33) GABRA2GABRB2AR

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
WO-2022222960-A1 FXIA INHIBITOR AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND USE THEREOF 上海美悦生物科技发展有限公司 2022-10-27 WO disclosed