SCHEMBL31207322

SCHEMBL31207322

COc1cc(-c2ccc(Nc3ccc(CN(C)C)cc3)cc2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
TAAR1 Q96RJ0 2/20 0.44
ACP1 P24666 1/20 0.42
MELK Q14680 8/20 0.42
KCNH2 Q12809 1/20 0.41
CYP17A1 P05093 1/20 0.40
AVPR1B P47901 1/20 0.40
HTR7 P34969 1/20 0.40
NR1H4 Q96RI1 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
SCHEMBL23630646 1.00 HRH3 (0.46) HRH3TAAR1ACP1MELKKCNH2
SCHEMBL31207324 0.87 MELK (0.45) HRH3TAAR1ACP1MELKCYP17A1
SCHEMBL23630642 0.87 MELK (0.45) HRH3TAAR1ACP1MELKCYP17A1
SCHEMBL23630637 0.85 HRH3 (0.47) HRH3TAAR1ACP1MELKHTR7
SCHEMBL31207326 0.85 HRH3 (0.47) HRH3TAAR1ACP1MELKHTR7
SCHEMBL8324388 0.79 HTR7 (0.54) HTR7
SCHEMBL23630647 0.77 ACP1 (0.47) HRH3TAAR1ACP1MELK
SCHEMBL31207320 0.77 ACP1 (0.47) HRH3TAAR1ACP1MELK
SCHEMBL23630643 0.77 MAOB (0.54) HRH3TAAR1ACP1NR1H4
SCHEMBL29922075 0.77 MAOB (0.54) HRH3TAAR1ACP1NR1H4

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
EP-3802492-B1 COMPOUNDS USEFUL IN THE TREATMENT OF DISORDERS ASSOCIATED WITH MUTANT RAS THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) 2024-11-06 EP claimed