SCHEMBL9867274

SCHEMBL9867274

NC(=NCCSCc1ccc2ccccc2c1)NCCCc1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC3R P41968 3/20 0.37
MC1R Q01726 3/20 0.37
MC4R P32245 2/20 0.37
MC5R P33032 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH2 P25021 1/20 0.35
CXCR4 P61073 2/20 0.34
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10371006 0.86 ALDH1A1 (0.41) HRH4HRH3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL9865263 0.85 LMNA (0.41) HRH4HRH3HRH2ALDH1A1IDO1
SCHEMBL9866042 0.85 SCN5A (0.44) HRH4HRH3EBPSIGMAR1HRH2
SCHEMBL9868525 0.85 SIGMAR1 (0.44) HRH4HRH3SIGMAR1HRH2ALDH1A1
SCHEMBL7178167 0.84 HRH4 (0.41) HRH4HRH3EBPSIGMAR1HRH2
SCHEMBL9876542 0.84 HRH4 (0.39) HRH4HRH3EBPSIGMAR1HRH2
SCHEMBL9866789 0.83 CYP1A2 (0.38) HRH4HRH3EBPSIGMAR1HRH2
SCHEMBL9866134 0.83 SCN5A (0.37) MC3RMC1RMC4RHRH2SCN5A
SCHEMBL9866141 0.83 SCN5A (0.37) MC3RMC1RMC4RHRH2SCN5A
SCHEMBL9868660 0.83 TRPV1 (0.39) HRH4HRH3SCN5ASCN2AKDM4E

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 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
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed