SCHEMBL9866705

SCHEMBL9866705

Cc1ccc(C(SCCNC(=NCCCc2c[nH]cn2)NC(=O)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 7/20 0.40
SCN2A Q99250 7/20 0.40
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
LMNA P02545 2/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH2 P25021 3/20 0.35
POLB P06746 1/20 0.34
TBXA2R P21731 1/20 0.34

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
SCHEMBL9866702 0.93 SCN5A (0.42) SCN5ASCN2AALDH1A1CYP1A2CYP3A4
SCHEMBL9866696 0.93 SCN5A (0.42) SCN5ASCN2AALDH1A1CYP1A2CYP3A4
SCHEMBL9865291 0.89 HRH2 (0.36) SCN5ASCN2AHRH4HRH2
SCHEMBL9866993 0.89 HRH2 (0.36) HRH4HRH2
SCHEMBL9865732 0.87 HPGD (0.52) SCN5ASCN2AALDH1A1CYP1A2CYP3A4
SCHEMBL9866012 0.86 LMNA (0.53) SCN5ASCN2AALDH1A1HPGDLMNA
SCHEMBL9865881 0.85 HPGD (0.46) SCN5ASCN2AALDH1A1CYP1A2CYP3A4
SCHEMBL7297991 0.84 NPY1R (0.39) SCN5ASCN2A
SCHEMBL9710076 0.83 EPHX2 (0.46) CYP2C9HPGDCYP2C19HRH4LMNA
SCHEMBL7431300 0.83 EPHX2 (0.46) CYP2C9HPGDCYP2C19HRH4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US claimed
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed