SCHEMBL7401250

SCHEMBL7401250

Nc1c(OCCN2CCC(Cc3ccccc3)CC2)cccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 3/20 0.63
MAPT P10636 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TMEM97 Q5BJF2 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
GAA P10253 1/20 0.55
DRD4 P21917 1/20 0.53
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
LTA4H P09960 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL7401171 0.91 KMT2A (0.53) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7404848 0.90 KDM4E (0.71) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7403447 0.83 TMEM97 (0.64) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7403057 0.82 KDM4E (0.61) KMT2AMEN1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL11540258 0.81 CYP2D6 (0.52) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7399949 0.80 MEN1 (0.70) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7398178 0.80 TMEM97 (0.69) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL216475 0.79 CYP1A2 (0.68) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7397301 0.77 TMEM97 (0.73) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7403135 0.77 MEN1 (0.68) KMT2AMEN1KDM4EALDH1A1MAPT

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