SCHEMBL9568128

SCHEMBL9568128

COC(=O)NC(=N)c1ccc(-c2ccc(OC)c(C(=O)NC3CCC(C(=O)OC4CCN(C)CC4)CC3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
BMPR1B O00238 2/20 0.38
BMPR1A P36894 2/20 0.38
ACVRL1 P37023 2/20 0.38
ACVR1 Q04771 2/20 0.38
CFTR P13569 1/20 0.37
DYRK1A Q13627 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
TGFBR1 P36897 1/20 0.37
KDM1A O60341 1/20 0.36
MCHR1 Q99705 1/20 0.36
MAPK14 Q16539 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
SCHEMBL9568132 1.00 SCN1A (0.38) SCN1ASCN2ASCN3ABMPR1BBMPR1A
SCHEMBL9568234 0.91 ALDH1A1 (0.43) KDM1A
SCHEMBL9568245 0.90 F2 (0.41) SCN1ASCN2ASCN3ABMPR1BBMPR1A
SCHEMBL9568246 0.90 F2 (0.41) SCN1ASCN2ASCN3ABMPR1BBMPR1A
SCHEMBL9568208 0.89 SCN1A (0.44) SCN1ASCN2ASCN3ABMPR1BBMPR1A
SCHEMBL9568210 0.89 SCN1A (0.44) SCN1ASCN2ASCN3ABMPR1BBMPR1A
SCHEMBL9568084 0.80 F2 (0.46) KDM1A
SCHEMBL9568086 0.80 F2 (0.46) KDM1A
Hydrochloric Acid SCHEMBL9568183 0.79 F2 (0.46) KDM1A
SCHEMBL8410171 0.76 CFTR (0.48) CFTRKDM1AMAPK14

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