SCHEMBL7401607

SCHEMBL7401607

COc1ccc(OCCN2CCC(C(C)=O)(c3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.59
DRD2 P14416 4/20 0.58
KCNA5 P22460 3/20 0.58
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.57
MMP1 P03956 2/20 0.56
MMP9 P14780 2/20 0.56
MMP13 P45452 2/20 0.56
ADAM17 P78536 1/20 0.56
CHRM5 P08912 2/20 0.54
CHRM3 P20309 2/20 0.54
CHRM1 P11229 1/20 0.54
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL7409040 0.89 ESR1 (0.53) DRD2MEN1KMT2AMAPT
SCHEMBL2168201 0.79 LTA4H (0.75) DRD3DRD2
SCHEMBL11065756 0.78 KDM1A (0.55) DRD3DRD2
SCHEMBL11061374 0.78 KDR (0.51) DRD3DRD2MEN1ALDH1A1KMT2A
SCHEMBL11063730 0.78 TACR2 (0.43)
SCHEMBL4744547 0.78 HRH4 (0.60) MEN1ALDH1A1KMT2A
SCHEMBL13150791 0.77 DRD3 (0.72) DRD3DRD2KCNA5
SCHEMBL11065503 0.77 OPRM1 (0.53)
SCHEMBL6565374 0.75 MMP9 (0.81) DRD3DRD2KCNA5MMP1MMP9
SCHEMBL8440281 0.75 OPRM1 (0.71)

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