SCHEMBL7408359

SCHEMBL7408359

Nc1c(OCCBr)cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
RECQL P46063 2/20 0.56
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 7/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
TTR P02766 1/20 0.38

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
SCHEMBL7335153 0.92 NPC1 (0.54) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL11545921 0.90 NPC1 (0.68) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL11545573 0.89 NPC1 (0.61) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL11545932 0.89 NPC1 (0.61) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL30967467 0.84 NPC1 (0.56) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL215008 0.84 NPC1 (0.56) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL907915 0.84 NPC1 (0.56) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL11539115 0.84 NPC1 (0.56) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL11544509 0.83 NPC1 (0.53) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL29707208 0.83 NPC1 (0.79) NPC1RAB9ARECQLKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed