SCHEMBL7306592

SCHEMBL7306592

CN(C)C[C@H](CN)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.59
HRH1 P35367 3/20 0.59
TDP1 Q9NUW8 1/20 0.57
GABBR2 O75899 2/20 0.50
GABBR1 Q9UBS5 2/20 0.50
TAAR1 Q96RJ0 4/20 0.48
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A3 Q01959 3/20 0.47
AOC3 Q16853 2/20 0.47
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL7306585 1.00 HTR2A (0.59) HTR2AHRH1TDP1GABBR2GABBR1
SCHEMBL8754723 0.87 HTR2A (0.70) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL22699690 0.84 HTR2A (0.55) HTR2AHRH1TDP1GABBR2GABBR1
SCHEMBL11736005 0.83 HTR2A (0.50) HTR2AHRH1TDP1GABBR2GABBR1
SCHEMBL21739938 0.81 HTR2A (0.61) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL21739939 0.81 HTR2A (0.61) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL3428926 0.81 HTR2A (0.61) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL1539105 0.79 TAAR1 (0.65) HTR2AHRH1GABBR2GABBR1TAAR1
SCHEMBL12712357 0.79 HTR2A (0.59) HTR2AHRH1TDP1SLC6A2SLC6A4
SCHEMBL9807100 0.79 HTR2A (0.59) HTR2AHRH1TDP1SLC6A2SLC6A4

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
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed