SCHEMBL9523780

SCHEMBL9523780

CCCCNC(=O)N1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.55
POLB P06746 1/20 0.49
HTT P42858 1/20 0.48
CYP3A4 P08684 2/20 0.48
BAZ2B Q9UIF8 1/20 0.48
PLA2G2A P14555 2/20 0.48
DRD3 P35462 4/20 0.47
KMT2A Q03164 2/20 0.47
MMP1 P03956 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
DRD2 P14416 3/20 0.45
MEN1 O00255 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL8534116 0.85 LSS (0.49) LSSPOLBHTTCYP3A4BAZ2B
SCHEMBL9523080 0.85 MMP1 (0.48) POLBDRD3KMT2AMMP1DRD2
SCHEMBL8538842 0.84 LSS (0.48) LSSHTTCYP3A4BAZ2BDRD3
SCHEMBL8534755 0.82 LSS (0.46) LSSHTTCYP3A4BAZ2BDRD3
SCHEMBL8540635 0.82 GPR119 (0.48) LSSHTTCYP3A4BAZ2BDRD3
SCHEMBL8534752 0.81 LSS (0.46) LSSHTTCYP3A4BAZ2BDRD3
SCHEMBL9589824 0.81 EPHX2 (0.46) LSSHTTCYP3A4BAZ2BDRD3
SCHEMBL9523895 0.80 CYP2C19 (0.60) LSSHTTCYP3A4BAZ2BPLA2G2A
SCHEMBL10562129 0.80 LSS (0.60) LSSHTTCYP3A4BAZ2BPLA2G2A
SCHEMBL8540462 0.79 GPR119 (0.45) LSSHTTCYP3A4BAZ2BDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537201-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-21 EP claimed
US-5189036-A Cardiovascular agents; class III antiarrhythmic agents SCHERING AG (DE) 1993-02-23 US claimed
WO-1991019709-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-12-26 WO claimed
EP-0537201-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-21 EP disclosed
US-5189036-A Cardiovascular agents; class III antiarrhythmic agents SCHERING AG (DE) 1993-02-23 US disclosed
WO-1991019709-A1 IMIDAZOLYLBENZOYL SUBSTITUTED HETEROCYCLES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-12-26 WO disclosed