SCHEMBL3250253

SCHEMBL3250253

O[C@]12CCC[C@H](CC1)N2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.51
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41
NPY2R P49146 1/20 0.41
OPRL1 P41146 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL3247032 1.00 OPRK1 (0.51) OPRK1NPY1RHTTNPY2ROPRL1
SCHEMBL3252831 0.97 OPRK1 (0.54) OPRK1NPY1RHTTNPY2ROPRL1
SCHEMBL3252835 0.97 OPRK1 (0.54) OPRK1NPY1RHTTNPY2ROPRL1
SCHEMBL168288 0.77 SIGMAR1 (0.38) OPRK1ALDH1A1SIGMAR1
SCHEMBL7808275 0.77 SIGMAR1 (0.40) OPRK1ALDH1A1SIGMAR1
SCHEMBL8947196 0.72 KDM4E (0.45) ALDH1A1POLBSIGMAR1
SCHEMBL10913905 0.72 OPRK1 (0.44) OPRK1HTTALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL9837514 0.72 KMT2A (0.40) OPRK1ALDH1A1
SCHEMBL11149436 0.71 OPRK1 (0.46) OPRK1HTTALDH1A1SIGMAR1
SCHEMBL7456872 0.71 LMNA (0.42) OPRK1ALDH1A1POLBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888345-B1 SIGMA-2 RECEPTORS AS BIOMARKERS OF TUMOR CELL PROLIFERATION UNIV WAKE FOREST HEALTH SCIENCES (US) 2010-05-05 EP disclosed
US-6676925-B1 BINDING WITH 9-AZABICYCLO(3.3.1)NONANE DERIVATIVES DETECTIVELY LABELED FOR POSITRON OR SINGLE PHOTON EMISSION COMPUTED TOMOGRAPHY IMAGING WAKE FOREST UNIVERSITY 2004-01-13 US disclosed
EP-0888345-A4 SIGMA-2 RECEPTORS AS BIOMARKERS OF TUMOR CELL PROLIFERATION UNIV WAKE FOREST (US) 2001-06-27 EP disclosed
US-6113877-A ADMINISTERING 8-AZABICYCLO(3.2.1)OCTANE OR 9-AZABICYCLO(3.3.1)NONANE DERIVATIVES; DETERMINING BREAST CANCER THERAPY WAKE FOREST UNIVERSITY (US) 2000-09-05 US disclosed
EP-0888345-A1 SIGMA-2 RECEPTORS AS BIOMARKERS OF TUMOR CELL PROLIFERATION WAKE FOREST UNIVERSITY (US) 1999-01-07 EP disclosed
WO-1997034892-A1 SIGMA-2 RECEPTORS AS BIOMARKERS OF TUMOR CELL PROLIFERATION WAKE FOREST UNIVERSITY (US) 1997-09-25 WO disclosed