SCHEMBL7466543

SCHEMBL7466543

CC(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.55
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
SLC6A7 Q99884 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
SLC13A5 Q86YT5 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
S1PR1 P21453 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
PDK2 Q15119 1/20 0.44
HSD17B1 P14061 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL28824318 0.85 SCN9A (0.48) KIF11MAOAMAOBFFAR4PPARG
SCHEMBL29869199 0.84 EPHX2 (0.55) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL566127 0.84 EPHX2 (0.55) SLC6A7FFAR4SLC13A5PPARGPPARA
SCHEMBL26057001 0.83 SLC6A7 (0.48) MAOASLC6A7FFAR4SLC13A5PPARG
SCHEMBL31757824 0.83 SLC6A7 (0.50) MAOASLC6A7FFAR4SLC13A5PPARG
SCHEMBL3135733 0.83 MAOB (0.52) MAPTMAOBSLC6A7FFAR4SLC13A5
SCHEMBL6542513 0.83 SLC6A7 (0.50) MAOBSLC6A7FFAR4SLC13A5PPARG
SCHEMBL3924323 0.83 SLC6A7 (0.50) MAOASLC6A7FFAR4SLC13A5PPARG
SCHEMBL27741048 0.82 SMN1; SMN2 (0.57) MAPTSMN1; SMN2MAOASLC6A7FFAR4
SCHEMBL423796 0.82 AKR1C3 (0.62) KIF11AKR1C3AKR1C2PDK2AR

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
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
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US disclosed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO 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