SCHEMBL25198645

SCHEMBL25198645

C[C@@H]1CN(C)c2cc(Br)ccc2CN1Cc1cccc(F)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.39
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
EGFR P00533 1/20 0.30
BRD4 O60885 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 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
SCHEMBL31427150 1.00 RIPK1 (0.39) RIPK1BCHEACHEEGFRBRD4
SCHEMBL25198448 0.87 BRD4 (0.32) RIPK1EGFRBRD4CACNA1GCACNA1H
SCHEMBL31427143 0.87 BRD4 (0.32) RIPK1EGFRBRD4CACNA1GCACNA1H
SCHEMBL25198951 0.80 MAPK14 (0.34)
SCHEMBL31427148 0.74 HRH3 (0.43)
SCHEMBL31427140 0.74 HRH3 (0.43)
SCHEMBL25215671 0.74 HRH3 (0.43)
SCHEMBL25197107 0.74 HRH3 (0.43)
SCHEMBL31427141 0.68 KHK (0.33)
SCHEMBL25237854 0.61 CYP17A1 (0.39)

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-2023093787-A1 BENZODIAZEPINE COMPOUND AND APPLICATION THEREOF AS RHO KINASE INHIBITOR 成都奥睿药业有限公司 2023-06-01 WO disclosed