SCHEMBL355040

SCHEMBL355040

B.c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
CYP2C19 P33261 1/20 0.68
CYP2D6 P10635 2/20 0.56
TAAR1 Q96RJ0 2/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
PDE6A P16499 1/20 0.56
ADRA2C P18825 1/20 0.56
MC4R P32245 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
MC3R P41968 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KMT2A Q03164 1/20 0.56
PDE4D Q08499 1/20 0.56

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
SCHEMBL43183 0.97 TSHR (0.74) TSHRCYP2C19CYP2D6TAAR1LMNA
Hydrochloric Acid SCHEMBL2139953 0.95 TSHR (0.71) TSHRCYP2C19CYP2D6TAAR1LMNA
Nitrogen SCHEMBL4599425 0.92 TSHR (0.68) TSHRCYP2C19CYP2D6TAAR1LMNA
SCHEMBL2960872 0.92 CYP2C19 (0.78) TSHRCYP2C19CYP2D6TAAR1LMNA
Butane SCHEMBL28032421 0.88 TSHR (0.76) TSHRCYP2C19CYP2D6TAAR1LMNA
SCHEMBL2011193 0.85 CYP2C19 (0.69) TSHRCYP2C19CYP2D6TAAR1LMNA
SCHEMBL10974928 0.85 CRHBP (0.68) TSHRCYP2C19CYP2D6TAAR1LMNA
SCHEMBL7154167 0.85 CYP2C19 (0.69) TSHRCYP2C19CYP2D6TAAR1LMNA
SCHEMBL15456984 0.84 CYP2C19 (0.88) TSHRCYP2C19CYP2D6TAAR1LMNA
SCHEMBL3065138 0.83 TSHR (0.63) TSHRCYP2C19CYP2D6TAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637703-B2 Methods for synthesizing ammonia borane THE OHIO STATE UNIVERSITY (US) 2014-01-28 US claimed
US-8637703-B2 Methods for synthesizing ammonia borane THE OHIO STATE UNIVERSITY (US) 2014-01-28 US disclosed
EP-2007743-B1 METHODS FOR SYNTHESIZING AMMONIA BORANE UNIV OHIO STATE (US) 2013-06-12 EP disclosed
US-20120014857-A1 METHODS FOR SYNTHESIZING AMMONIA BORANE THE OHIO STATE UNIVERSITY (US) 2012-01-19 US disclosed
US-7977508-B2 Methods for synthesizing ammonia borane THE OHIO STATE UNIVERSITY (US) 2011-07-12 US disclosed
US-20090104102-A1 METHODS FOR SYNTHESIZING AMMONIA BORANE THE OHIO STATE UNIVERSITY 2009-04-23 US disclosed
EP-2007743-A2 METHODS FOR SYNTHESIZING AMMONIA BORANE The Ohio State University (US) 2008-12-31 EP disclosed
WO-2007120511-A2 METHODS FOR SYNTHESIZING AMMONIA BORANE THE OHIO STATE UNIVERSITY (US) 2007-10-25 WO disclosed