SCHEMBL31633166

SCHEMBL31633166

Cn1cc(-c2cccc(F)c2)c2ccc(CN3CCC(N4Cc5ccccc5C4=O)CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTR Q99707 1/20 0.44
CHRM2 P08172 2/20 0.41
CHRM3 P20309 2/20 0.41
SCN1A P35498 4/20 0.41
SCN5A Q14524 4/20 0.41
SCN9A Q15858 4/20 0.41
PARP1 P09874 3/20 0.41
PARP2 Q9UGN5 2/20 0.41
BDKRB1 P46663 1/20 0.40
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCD Q05655 1/20 0.39
CAMK2D Q13557 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL31633001 0.85 MTR (0.43) MTRCHRM2CHRM3SCN1ASCN5A
SCHEMBL31633003 0.76 MTR (0.46) MTRSCN1ASCN5ASCN9APARP1
SCHEMBL31633102 0.76 SCN1A (0.42) MTRCHRM2CHRM3SCN1ASCN5A
SCHEMBL31632774 0.74 MTR (0.46) MTRSCN1ASCN5ASCN9APARP1
SCHEMBL31632990 0.73 MTR (0.46) MTRSCN1ASCN5ASCN9APARP1
SCHEMBL31632897 0.73 GRM2 (0.46) CYP2D6
SCHEMBL3101936 0.72 SSTR5 (0.50) MTRSCN1ASCN5ASCN9A
SCHEMBL6191353 0.72 MTR (0.66) MTRCHRM2CHRM3SCN1ASCN5A
SCHEMBL31633164 0.72 HRH1 (0.45) CYP2D6
SCHEMBL31633194 0.72 GRM2 (0.40) BDKRB1CYP2D6

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-2025129167-A1 INHIBITORS OF THE SURFACE EXPRESSION OF THE VOLTAGE-GATED SODIUM ION CHANNEL 1.7 (NAV1.7) AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed