SCHEMBL6651929

SCHEMBL6651929

CCOc1ccnc(N2CCN(C(=O)c3sccc3Cl)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
LMNA P02545 3/20 0.42
CCR4 P51679 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
PANK3 Q9H999 1/20 0.39
SLC6A7 Q99884 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
Hypochlorous Acid SCHEMBL6657831 0.99 HRH2 (0.43) HRH2HRH1LMNACCR4MEN1
Hydrochloric Acid SCHEMBL6657823 0.99 HRH2 (0.43) HRH2HRH1LMNACCR4MEN1
SCHEMBL6652566 0.89 HCRTR1 (0.45) HRH2HRH1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6652387 0.88 HCRTR1 (0.44) HRH2HRH1LMNAMEN1KMT2A
Hypochlorous Acid SCHEMBL6652392 0.88 HCRTR1 (0.44) HRH2HRH1LMNAMEN1KMT2A
SCHEMBL6651019 0.87 MEN1 (0.41) HRH2HRH1LMNACCR4MEN1
Hydrochloric Acid SCHEMBL6653311 0.86 MEN1 (0.41) HRH2HRH1LMNACCR4MEN1
Hypochlorous Acid SCHEMBL6653316 0.86 MEN1 (0.41) HRH2HRH1LMNACCR4MEN1
SCHEMBL5253147 0.85 LMNA (0.41) LMNAMEN1KMT2AALDH1A1CA12
Hydrochloric Acid SCHEMBL5307963 0.84 LMNA (0.40) LMNAMEN1KMT2AALDH1A1CA12

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
EP-1006110-B1 DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS ESTEVE LABOR DR (ES) 2004-02-11 EP claimed
US-6372746-B1 ANTICONVULSIVE AGENTS, SEDATIVES AND EATING DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2002-04-16 US claimed
EP-1006110-A1 DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2000-06-07 EP claimed