SCHEMBL7703567

SCHEMBL7703567

N#Cc1ccc(CC(N)c2cnc[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
CYP19A1 P11511 9/20 0.51
CPA1 P15085 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CPB1 P15086 1/20 0.39
CPB2 Q96IY4 1/20 0.39
HRH4 Q9H3N8 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
SCHEMBL7703563 0.85 HRH3 (0.55) HRH3CYP19A1CPA1LOXL2
Hydrochloric Acid SCHEMBL7474426 0.84 HRH3 (0.54) HRH3CYP19A1CPA1
SCHEMBL7053727 0.79 CPA1 (0.71) HRH3CYP19A1CPA1CPB1CPB2
Hydrochloric Acid SCHEMBL8495732 0.78 CPA1 (0.69) HRH3CYP19A1CPA1CPB1CPB2
SCHEMBL7658759 0.76 HRH3 (0.46) HRH3CYP19A1CPA1CPB1CPB2
SCHEMBL7134263 0.76 HRH3 (0.46) HRH3CYP19A1
SCHEMBL7738166 0.75 CYP19A1 (0.51) HRH3CYP19A1CPA1
SCHEMBL7086614 0.75 CPA1 (0.51) HRH3CYP19A1CPA1CPB1CPB2
Hydrochloric Acid SCHEMBL7484921 0.75 HRH3 (0.45) HRH3CYP19A1
SCHEMBL18930739 0.75 HRH3 (0.40) HRH3CYP19A1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002057223-A2 COMPOUNDS AZEPANE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS LES LABORATOIRES SERVIER (FR) 2002-07-25 WO claimed