SCHEMBL3390935

SCHEMBL3390935

[CH2]C(C)C(CCC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
AOC3 Q16853 2/20 0.42
HKDC1 Q2TB90 1/20 0.39
LMNA P02545 2/20 0.39
RIPK1 Q13546 1/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
SMPD1 P17405 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
CASR P41180 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL8157573 0.84 AOC3 (0.48) TAAR1AOC3HKDC1LMNASLC6A2
SCHEMBL7511093 0.83 TAAR1 (0.59) TAAR1AOC3HKDC1LMNARIPK1
SCHEMBL11130809 0.83 HKDC1 (0.50) TAAR1AOC3HKDC1LMNACHRM2
SCHEMBL7511084 0.83 TAAR1 (0.59) TAAR1AOC3HKDC1LMNARIPK1
SCHEMBL2464535 0.81 TAAR1 (0.47) TAAR1AOC3HKDC1LMNARIPK1
SCHEMBL10831187 0.81 TAAR1 (0.47) TAAR1AOC3HKDC1LMNARIPK1
SCHEMBL7043124 0.79 TAAR1 (0.45) TAAR1AOC3HKDC1LMNARIPK1
SCHEMBL22029995 0.79 TAAR1 (0.45) TAAR1AOC3HKDC1LMNARIPK1
SCHEMBL7043126 0.79 AOC3 (0.50) TAAR1AOC3HKDC1LMNARIPK1
SCHEMBL12803686 0.79 TAAR1 (0.45) TAAR1AOC3HKDC1LMNARIPK1

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
WO-2010094721-A1 PIPERIDIN-PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H4 RECEPTOR PALAU PHARMA, S. A. (ES) 2010-08-26 WO disclosed
WO-2010043633-A1 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES PALAU PHARMA, S. A. (ES) 2010-04-22 WO disclosed
CN-1293061-C Novel branched substituted amino derivatives of 3-amino-1-phenyl-1H- [1,2,4] triazole, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2007-01-03 CN disclosed
CN-1434808-A Novel branched substituted amino derivatives of 3-amino-1-phemyl-1H[1,2,4]triazo, methods for producing them and pharmaceutica compositions containing them SANOFI SYNTHELABO (FR) 2003-08-06 CN disclosed