SCHEMBL7623741

SCHEMBL7623741

c1c[nH]c(-c2ccc(Cc3ncc[nH]3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.62
HTR1A P08908 1/20 0.43
MET P08581 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
ALOX15 P16050 1/20 0.35
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL13372830 0.82 TAAR1 (0.80) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL5935186 0.81 TAAR1 (0.79) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL10630560 0.78 TAAR1 (0.62) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL9243 0.77 TAAR1 (1.00) TAAR1HTR1AADRA2AADRA2BADRA2C
Methane SCHEMBL28185797 0.75 TAAR1 (0.96) TAAR1HTR1AADRA2AADRA2BADRA2C
Ammonia Solution, Strong SCHEMBL27639428 0.75 TAAR1 (0.96) TAAR1HTR1AADRA2AADRA2BADRA2C
Fluoride SCHEMBL28130014 0.75 TAAR1 (0.96) TAAR1HTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL27290500 0.75 TAAR1 (0.96) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL11295562 0.75 TAAR1 (0.69) TAAR1HTR1AADRA2AADRA2BADRA2C
Bromide SCHEMBL29135558 0.75 TAAR1 (0.96) TAAR1HTR1AADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451833-B1 ANGIOTENSIN ANTAGONISTS PHARMACIA CORPORATION 2002-09-17 US disclosed
US-6451833-B1 ANGIOTENSIN ANTAGONISTS PHARMACIA CORPORATION 2002-09-17 US disclosed
US-6451833-B1 ANGIOTENSIN ANTAGONISTS PHARMACIA CORPORATION 2002-09-17 US disclosed
US-6008368-A USEFUL FOR TREATING HYPERTENSION AND CONGESTIVE HEART FAILURE; NONPEPTIDIC G. D. SEARLE & CO. (US) 1999-12-28 US disclosed
US-6008368-A USEFUL FOR TREATING HYPERTENSION AND CONGESTIVE HEART FAILURE; NONPEPTIDIC G. D. SEARLE & CO. (US) 1999-12-28 US disclosed
US-6008368-A USEFUL FOR TREATING HYPERTENSION AND CONGESTIVE HEART FAILURE; NONPEPTIDIC G. D. SEARLE & CO. (US) 1999-12-28 US disclosed
US-5451597-A Hypotensive agents, congestive heart failure G.D. SEARLE & CO. (US) 1995-09-19 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
US-5187271-A Hypotensive agents, cardiovascular disorders G. D. SEARLE & CO. (US) 1993-02-16 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
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