SCHEMBL7403135

SCHEMBL7403135

O=[N+]([O-])c1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
TMEM97 Q5BJF2 2/20 0.58
SIGMAR1 Q99720 2/20 0.58
MAOB P27338 10/20 0.57
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
ACHE P22303 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL7403465 0.95 MEN1 (0.67) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7403904 0.86 MEN1 (0.76) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7399949 0.86 MEN1 (0.70) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7404848 0.83 KDM4E (0.71) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL8163069 0.82 GAA (0.52) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7405897 0.81 SLC6A2 (0.64) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7397301 0.81 TMEM97 (0.73) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7403632 0.81 SLC6A2 (0.76) MEN1KMT2AKDM4ETMEM97SIGMAR1
SCHEMBL7401985 0.81 TMEM97 (0.68) MEN1KMT2AKDM4EALDH1A1MAPT
Bromide SCHEMBL7398424 0.80 TMEM97 (0.71) MEN1KMT2AKDM4EALDH1A1MAPT

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