SCHEMBL11207659

SCHEMBL11207659

CN=C(NCCSCc1[nH]cnc1C)NC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 6/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SLC22A2 O15244 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ATP4A P20648 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ATP4B P51164 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SLC47A2 Q86VL8 1/20 0.47
▸ SLC22A8 Q8TCC7 1/20 0.47
▸ SLC47A1 Q96FL8 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 SCHEMBL11640925 0.99 HRH2 (0.47) HRH2CYP3A4CYP2D6MEN1SLC22A2
SCHEMBL11005475 0.89 HRH2 (0.40) HRH2CYP3A4CYP2D6MEN1SLC22A2
SCHEMBL11005481 0.89 HRH2 (0.40) HRH2CYP3A4CYP2D6MEN1SLC22A2
SCHEMBL11540378 0.86 HRH2 (0.51) HRH2CYP3A4CYP2D6MEN1SLC22A2
SCHEMBL11321766 0.85 SMN1; SMN2 (0.39) HRH2CYP3A4CYP2D6MEN1SLC22A2
SCHEMBL11537682 0.85 HRH2 (0.53) HRH2CYP3A4CYP2D6MEN1SLC22A2
Hydrochloric Acid SCHEMBL11535380 0.85 HRH2 (0.50) HRH2CYP3A4CYP2D6MEN1SLC22A2
SCHEMBL11540899 0.84 CYP3A4 (0.52) HRH2CYP3A4CYP2D6MEN1SLC22A2
Hydrochloric Acid SCHEMBL11543089 0.84 HRH2 (0.52) HRH2CYP3A4CYP2D6MEN1SLC22A2
Hydrochloric Acid SCHEMBL11543839 0.83 CYP3A4 (0.51) HRH2CYP3A4CYP2D6MEN1SLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58152869-A — — None — — JP disclosed
JP-S58152869-A PREPARATION OF GUANIDINE DERIVATIVE FUJIMOTO SEIYAKU KK 1983-09-10 — — JP disclosed
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