SCHEMBL30947152

SCHEMBL30947152

O=c1nc[nH]n1CCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 1/20 0.43
TAAR1 Q96RJ0 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE2A O00408 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL30947257 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL30693612 0.70 CNOT7 (0.43) CNOT7TAAR1HRH3MAPTHSD17B10
SCHEMBL8799962 0.70 TAAR1 (0.50) CNOT7TAAR1HRH3MAPTHSD17B10
SCHEMBL21493552 0.68 CNOT7 (0.53) CNOT7TAAR1HRH3MAPTHSD17B10
SCHEMBL14678488 0.67 MGLL (0.52) CNOT7TAAR1HRH3MAPTHSD17B10
SCHEMBL9570485 0.67 GPR84 (0.48) CNOT7TAAR1HRH3MAPTHSD17B10
SCHEMBL11152620 0.67 CNOT7 (0.44) CNOT7TAAR1HRH3MAPTHSD17B10
SCHEMBL10928551 0.66 MAPT (0.46) CNOT7TAAR1HRH3MAPTHSD17B10
SCHEMBL2030841 0.65 TAAR1 (0.71) TAAR1HRH3ALDH1A1TSHR
SCHEMBL2398501 0.65 GLA (0.52) MAPTHSD17B10ALDH1A1TSHR

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-118894816-A 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-11-05 CN disclosed
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 CN disclosed