SCHEMBL7476786

SCHEMBL7476786

[CH2]CCCCOc1ccccc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.74
RAB9A P51151 4/20 0.74
RECQL P46063 2/20 0.74
ALDH1A1 P00352 7/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 3/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 2/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 4/20 0.52
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL8778559 0.98 NPC1 (0.72) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL3032330 0.95 NPC1 (0.77) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL6966640 0.90 NPC1 (0.79) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL9642715 0.88 NPC1 (0.89) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL9187561 0.86 NPC1 (1.00) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL1340160 0.83 NPC1 (0.74) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL28087012 0.83 NPC1 (0.74) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL16057079 0.83 NPC1 (0.74) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL3451500 0.83 NPC1 (0.79) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL3581773 0.83 RAB9A (0.68) NPC1RAB9ARECQLALDH1A1KMT2A

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