SCHEMBL7469716

SCHEMBL7469716

O=[N+]([O-])c1cccc2c1CC[CH]2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
GPR35 Q9HC97 2/20 0.44
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
S100A4 P26447 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
PNMT P11086 1/20 0.38
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL7014075 0.89 MAPT (0.44) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL28369479 0.82 TDP1 (0.42) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL28327167 0.74 TDP1 (0.41) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL1573387 0.70 TDP1 (0.45) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL376449 0.70 ALDH1A1 (0.46) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL7298106 0.70 TDP1 (0.41) TDP1GPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL2212205 0.70 S100A4 (0.43) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL942246 0.69 TDP1 (0.44) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL166701 0.68 MAPT (0.56) TDP1GPR35TSHRLMNAALDH1A1
SCHEMBL31180267 0.68 MAPT (0.51) TDP1GPR35TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed