SCHEMBL7401985

SCHEMBL7401985

O=[N+]([O-])c1cccc(OCCN2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.92

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.68
SIGMAR1 Q99720 2/20 0.68
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
LTA4H P09960 1/20 0.58
PTGS2 P35354 1/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
MAOB P27338 4/20 0.57
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
ACHE P22303 2/20 0.55
DRD4 P21917 1/20 0.54
FAAH O00519 2/20 0.53

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
SCHEMBL7397301 0.88 TMEM97 (0.73) TMEM97SIGMAR1MEN1KMT2ALTA4H
Bromide SCHEMBL7398424 0.87 TMEM97 (0.71) TMEM97SIGMAR1MEN1KMT2ALTA4H
SCHEMBL7399949 0.84 MEN1 (0.70) TMEM97SIGMAR1MEN1KMT2AKDM4E
SCHEMBL3220387 0.83 LTA4H (0.64) SIGMAR1LTA4HPTGS2KDM4EALDH1A1
SCHEMBL7408986 0.82 TMEM97 (0.73) TMEM97SIGMAR1MEN1KMT2AKDM4E
SCHEMBL7403904 0.82 MEN1 (0.76) TMEM97SIGMAR1MEN1KMT2AKDM4E
SCHEMBL5888854 0.82 TMEM97 (1.00) TMEM97SIGMAR1MEN1KMT2ALTA4H
Bromide SCHEMBL7405192 0.81 TMEM97 (0.72) TMEM97SIGMAR1MEN1KMT2AKDM4E
SCHEMBL3209576 0.81 LTA4H (0.83) MEN1KMT2ALTA4HPTGS2KDM4E
SCHEMBL7402782 0.81 TMEM97 (0.76) TMEM97SIGMAR1MAOBSLC6A2SLC6A4

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-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP claimed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP claimed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed
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