SCHEMBL31207320

SCHEMBL31207320

COc1cc(F)cc(-c2ccc(Nc3ccc(CN(C)C)cc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.47
HRH3 Q9Y5N1 2/20 0.45
MCHR1 Q99705 3/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
PIK3CD O00329 1/20 0.38
BACE1 P56817 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ROCK2 O75116 1/20 0.37

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
SCHEMBL23630647 1.00 ACP1 (0.47) ACP1HRH3MCHR1CHRM1HTR2A
SCHEMBL21589940 0.85 ACP1 (0.47) ACP1HRH3MCHR1CHRM1HTR2A
SCHEMBL29922075 0.81 MAOB (0.54) ACP1HRH3MCHR1CHRM1HTR2A
SCHEMBL23630643 0.81 MAOB (0.54) ACP1HRH3MCHR1CHRM1HTR2A
SCHEMBL31207324 0.78 MELK (0.45) ACP1HRH3TAAR1MELK
SCHEMBL23630642 0.78 MELK (0.45) ACP1HRH3TAAR1MELK
SCHEMBL23630646 0.77 HRH3 (0.46) ACP1HRH3TAAR1MELK
SCHEMBL31207322 0.77 HRH3 (0.46) ACP1HRH3TAAR1MELK
SCHEMBL26798799 0.75 NOS3 (0.46) HTR2ABACE1MAPTABL1ABCB1
SCHEMBL25365883 0.74 ABL1 (0.44) BACE1NPC1MAPK1RAB9AABL1

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