SCHEMBL7628448

SCHEMBL7628448

Clc1ccc(C(c2ccc(-n3cccc3)cc2)n2ccnc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.77
CYP3A4 P08684 4/20 0.55
CYP2D6 P10635 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP17A1 P05093 2/20 0.55
NOTUM Q6P988 1/20 0.54
MEN1 O00255 1/20 0.54
NR1I2 O75469 1/20 0.54
USP2 O75604 1/20 0.54
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PLA2G1B P04054 1/20 0.54
TP53 P04637 1/20 0.54
PGR P06401 1/20 0.54
HSP90AA1 P07900 1/20 0.54
MAPT P10636 1/20 0.54
IDO1 P14902 1/20 0.54
HPGD P15428 1/20 0.54
MAOA P21397 1/20 0.54
CNR1 P21554 1/20 0.54

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
SCHEMBL10693298 0.87 CYP19A1 (1.00) CYP19A1CYP3A4CYP2D6CYP1A2CYP17A1
SCHEMBL11366789 0.84 CYP19A1 (1.00) CYP19A1CYP3A4CYP2D6CYP1A2CYP17A1
SCHEMBL11353276 0.81 CYP19A1 (0.91) CYP19A1CYP3A4CYP2D6CYP1A2CYP17A1
SCHEMBL11370543 0.81 CYP19A1 (0.85) CYP19A1CYP3A4CYP2D6CYP1A2CYP17A1
SCHEMBL8917184 0.80 CYP19A1 (0.84) CYP19A1CYP3A4CYP2D6CYP1A2CYP17A1
SCHEMBL1507798 0.77 CYP19A1 (0.85) CYP19A1CYP3A4CYP2D6CYP1A2CYP17A1
SCHEMBL8697230 0.75 CYP19A1 (0.69) CYP19A1CYP3A4CYP2D6CYP1A2CYP17A1
SCHEMBL738495 0.73 CYP19A1 (1.00) CYP19A1CYP3A4CYP17A1MEN1NR1I2
SCHEMBL3916084 0.73 CYP19A1 (0.68) CYP19A1CYP3A4CYP2D6CYP1A2CYP17A1
SCHEMBL11365302 0.73 CYP19A1 (0.71) CYP19A1CYP3A4CYP2D6CYP1A2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451833-B1 ANGIOTENSIN ANTAGONISTS PHARMACIA CORPORATION 2002-09-17 US disclosed
US-5451597-A Hypotensive agents, congestive heart failure G.D. SEARLE & CO. (US) 1995-09-19 US disclosed
US-5187271-A Hypotensive agents, cardiovascular disorders G. D. SEARLE & CO. (US) 1993-02-16 US disclosed
WO-1992015577-A1 N-SUBSTITUTED (ALPHA-IMIDAZOLYL-TOLUYL) PYRROLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-09-17 WO disclosed