SCHEMBL9364213

SCHEMBL9364213

O=C(NCCNCc1ccccc1)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 1/20 0.64
ADRB1 P08588 4/20 0.55
ADRB2 P07550 3/20 0.55
ADRB3 P13945 3/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CD38 P28907 1/20 0.50
DRD3 P35462 3/20 0.49
DRD2 P14416 2/20 0.49
NAMPT P43490 1/20 0.49
ADH5 P11766 1/20 0.49
HTT P42858 1/20 0.48
CYP3A4 P08684 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
MAP4K4 O95819 1/20 0.47
PRKCG P05129 1/20 0.47
PRKACA P17612 1/20 0.47

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
Hydrochloric Acid SCHEMBL9367421 0.99 CYP4Z1 (0.63) CYP4Z1ADRB1ADRB2ADRB3ALDH1A1
SCHEMBL3043398 0.91 ADRB1 (0.56) CYP4Z1ADRB1ADRB2ADRB3ALDH1A1
SCHEMBL3030365 0.90 ADRB2 (0.58) CYP4Z1ADRB1ADRB2ADRB3DRD3
SCHEMBL8508590 0.87 CYP4Z1 (0.65) CYP4Z1ADRB1ADRB2ADRB3MAPT
SCHEMBL9364539 0.82 CYP4Z1 (0.59) CYP4Z1ADRB1ADRB2ADRB3MAPT
Water SCHEMBL9367478 0.81 CYP4Z1 (0.58) CYP4Z1ADRB1ADRB2ADRB3MAPT
Water SCHEMBL9367484 0.81 CYP4Z1 (0.58) CYP4Z1ADRB1ADRB2ADRB3MAPT
SCHEMBL5947724 0.80 EPHX2 (0.64) CYP4Z1ADRB1ADRB2ADRB3MAPT
SCHEMBL16781355 0.79 LMNA (0.53) ADRB1ADRB2ADRB3MAPTADH5
SCHEMBL8781065 0.79 CYP4Z1 (0.57) CYP4Z1ADRB1ADRB2ADRB3MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290377-B1 Substituted 4-[1H-Imidazol-1-yl] benzamides as antiarrhythmic agents SCHERING AG (DE) 1994-03-02 EP claimed
US-4804662-A Substituted 4-(1H-imidazol-1-yl)benzamides as antiarrhythmic agents SCHERING A.G. (DE) 1989-02-14 US claimed
EP-0290377-B1 Substituted 4-[1H-Imidazol-1-yl] benzamides as antiarrhythmic agents SCHERING AG (DE) 1994-03-02 EP disclosed
US-4804662-A Substituted 4-(1H-imidazol-1-yl)benzamides as antiarrhythmic agents SCHERING A.G. (DE) 1989-02-14 US disclosed