SCHEMBL7401487

SCHEMBL7401487

CC(=O)Nc1ccc(Br)cc1C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HTT P42858 3/20 0.47
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AAK1 Q2M2I8 2/20 0.40
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HDAC1 Q13547 1/20 0.40
MAPK1 P28482 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
SCHEMBL17260106 0.81 KDM4E (0.56) CA1CA2CA9NPC1RAB9A
SCHEMBL30559957 0.81 SMN1; SMN2 (0.43) ALDH1A1HTTCA1CA2CA9
SCHEMBL17260082 0.81 SMN1; SMN2 (0.43) ALDH1A1HTTCA1CA2CA9
SCHEMBL31055981 0.80 ALDH1A1 (0.49) ALDH1A1HTTCA1CA2CA9
SCHEMBL7404572 0.77 FASN (0.49) NPC1RAB9AMAPTPOLBPTGDR2
SCHEMBL1284518 0.77 ALDH1A1 (0.64) ALDH1A1HTTCA1CA2CA9
SCHEMBL13045909 0.76 HSD17B10 (0.56) ALDH1A1HTTRXFP1NPC1RAB9A
SCHEMBL31236186 0.75 ALDH1A1 (0.62) ALDH1A1HTTCA1CA2CA9
SCHEMBL31236185 0.75 ALDH1A1 (0.62) ALDH1A1HTTCA1CA2CA9
SCHEMBL29572629 0.75 ALDH1A1 (0.62) ALDH1A1HTTCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097921-A1 Phenylhydrazines SANOFI-SYNTHELABO (FR) 2001-05-09 EP disclosed
US-6172239-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2001-01-09 US disclosed
US-5965579-A ANTAGONISTS OF THE NEUROTENSIN RECEPTORS; INCREASING AFFINITY FOR HUMAN NEUROTENSIN RECEPTORS SANOFI (FR) 1999-10-12 US disclosed
US-5939449-A NOVEL COMPOUNDS HAVING HIGH AFFINITY FOR THE NEUROTENSIN RECEPTORS SANOFI (FR) 1999-08-17 US disclosed
US-5936123-A COMPOUNDS SUCH AS 3-ISOPROPYL-4-HYDRAZINOBENZOIC ACID AND ITS SALTS SANOFI (FR) 1999-08-10 US disclosed
US-5925661-A NERVOUS SYSTEM DISORDERS SANOFI (FR) 1999-07-20 US disclosed
CN-1184469-A 1-phenyl-3-pyrazolecarboxamides active on neurotensin receptors SANOFI SA (FR) 1998-06-10 CN disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed
EP-0820444-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1998-01-28 EP disclosed
WO-1996032382-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1996-10-17 WO disclosed