SCHEMBL7459305

SCHEMBL7459305

Clc1ccc(-c2ccc(CCBr)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.59
TAAR1 Q96RJ0 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.44
IDO1 P14902 1/20 0.42
AOC3 Q16853 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
MIF P14174 1/20 0.41
MCHR1 Q99705 1/20 0.40
LSS P48449 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
AHR P35869 1/20 0.39

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
SCHEMBL314167 0.93 TAAR1 (0.56) MAOBTAAR1TDP1IDO1AOC3
SCHEMBL9553181 0.87 TDP1 (0.60) MAOBTAAR1TDP1
SCHEMBL9510154 0.87 TDP1 (0.60) MAOBTAAR1TDP1
SCHEMBL27961329 0.86 TAAR1 (0.50) MAOBTAAR1TDP1CYP1A2IDO1
Water SCHEMBL11482042 0.85 TDP1 (0.57) MAOBTAAR1TDP1
SCHEMBL14884590 0.85 CHKA (0.50) MAOBTAAR1TDP1AHR
SCHEMBL1396008 0.82 CA2 (0.48) MAOBTAAR1TDP1IDO1AOC3
SCHEMBL9293968 0.80 MAOB (0.48) MAOBTAAR1TDP1IGF1RALOX15
SCHEMBL6756387 0.80 MAOB (0.52) MAOBTAAR1CYP1A2IDO1LSS
SCHEMBL7463769 0.80 MAOB (0.69) MAOBTAAR1TDP1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837848-B1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI SYNTHELABO (FR) 2002-09-11 EP disclosed
EP-1216996-A2 Method to synthesise biphenylyl derivatives SANOFI-SYNTHELABO (FR) 2002-06-26 EP disclosed
EP-0837848-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1998-04-29 EP disclosed
WO-1997001536-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1997-01-16 WO disclosed
US-4353900-A HYPOTENSIVE, ANTIARRHYTHMIA, CARDIOTONIC, VASODILATORS SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed