SCHEMBL7899199

SCHEMBL7899199

c1ccc(S[C@@H]2CCNC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM1A O60341 2/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
JAK3 P52333 1/20 0.37
HRH1 P35367 2/20 0.37
GBA1 P04062 1/20 0.37
HTR3A P46098 1/20 0.36
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35

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
SCHEMBL4866506 0.89 MAOB (0.43) KDM1AMAOBMAOADDB1CRBN
SCHEMBL1143535 0.88 SLC18A3 (0.48) SLC18A3SIGMAR1KDM1AMAOBMAOA
SCHEMBL10797730 0.87 MAOB (0.42) KDM1AMAOBMAOADDB1CRBN
Hydrochloric Acid SCHEMBL15650239 0.87 MAOB (0.42) KDM1AMAOBMAOADDB1CRBN
Ammonia Solution, Strong SCHEMBL8838918 0.86 SLC18A3 (0.47) SLC18A3SIGMAR1KDM1AMAOBMAOA
Hydrochloric Acid SCHEMBL1019763 0.86 SLC18A3 (0.47) SLC18A3SIGMAR1KDM1AMAOBMAOA
Hydrochloric Acid SCHEMBL10797308 0.85 MAOB (0.41) KDM1AMAOBMAOADDB1CRBN
Hydrochloric Acid SCHEMBL23410190 0.84 SLC18A3 (0.45) SLC18A3SIGMAR1KDM1AMAOBMAOA
SCHEMBL15212244 0.83 DDB1 (0.39) KDM1AMAOBMAOADDB1CRBN
SCHEMBL20002189 0.81 DDB1 (0.42) MAOBMAOADDB1CRBNHTR3A

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
WO-2010084515-A2 A PROCESS FOR THE PREPARATION OF ZOFENOPRIL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF GLENMARK GENERICS LIMITED (IN) 2010-07-29 WO disclosed