SCHEMBL9568136

SCHEMBL9568136

COC(=O)NC(=N)c1ccc(-c2ccc(C(=O)N3CCC(CC(=O)OC4CCN(C)CC4)CC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN3A Q9NY46 2/20 0.43
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2B P41595 2/20 0.39
HRH3 Q9Y5N1 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.37
PRMT5 O14744 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
SCHEMBL9568105 0.91 ITGB3 (0.43) HPGDPOLBHTR2BHRH3ALDH1A1
SCHEMBL9568217 0.90 HRH3 (0.42) POLBL3MBTL3L3MBTL1HTR2BHRH3
Hydrochloric Acid SCHEMBL9568205 0.89 HTR2B (0.39) HPGDPOLBL3MBTL3L3MBTL1HTR2B
SCHEMBL8407957 0.88 POLB (0.43) HPGDPOLBL3MBTL3HTR2BHRH3
SCHEMBL9568115 0.86 SCN1A (0.46) SCN1ASCN2ASCN3APOLBL3MBTL3
SCHEMBL9568179 0.85 YAP1 (0.44) RAB9AHTR2BSMN1; SMN2
SCHEMBL8407952 0.84 ITGB3 (0.49) POLBALDH1A1SMN1; SMN2
SCHEMBL9568130 0.82 POLB (0.41) POLBHTR2BHRH3ALDH1A1SMN1; SMN2
SCHEMBL9568137 0.82 HRH3 (0.39) HPGDPOLBHTR2BHRH3ALDH1A1
SCHEMBL9568141 0.82 POLB (0.43) HPGDPOLBHTR2BHRH3ALDH1A1

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-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed