SCHEMBL8663255

SCHEMBL8663255

OCC1(O)CCCN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.45
POLB P06746 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
CCR3 P51677 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPY1R P25929 1/20 0.39
HTT P42858 1/20 0.39
NPY2R P49146 1/20 0.39
JAK3 P52333 1/20 0.39
EPHX2 P34913 1/20 0.39
GAA P10253 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 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
SCHEMBL12672699 0.81 MEN1 (0.45) OPRL1POLBMEN1KMT2ASIGMAR1
SCHEMBL207170 0.81 OPRL1 (0.49) OPRL1POLBMEN1KMT2ASIGMAR1
SCHEMBL4331455 0.81 OPRL1 (0.43) OPRL1POLBMEN1KMT2ASIGMAR1
SCHEMBL25000121 0.79 CYP2D6 (0.43) OPRL1POLBMEN1KMT2ASIGMAR1
SCHEMBL31105377 0.79 CYP2D6 (0.43) OPRL1POLBMEN1KMT2ASIGMAR1
SCHEMBL8936204 0.78 OPRL1 (0.46) OPRL1POLBMEN1KMT2ASIGMAR1
SCHEMBL9015241 0.78 POLB (0.44) OPRL1POLBMEN1KMT2ASIGMAR1
SCHEMBL9015247 0.78 POLB (0.44) OPRL1POLBMEN1KMT2ASIGMAR1
SCHEMBL24696382 0.77 OPRL1 (0.45) OPRL1POLBMEN1KMT2ASIGMAR1
SCHEMBL24998567 0.76 MEN1 (0.41) OPRL1POLBMEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714606-A OLIGONUCLEOTIDE HAVING RECEPTOR BINDING SITES; ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS, MEDICAL DIAGNOSIS ISIS PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
EP-0739335-A4 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 1997-04-02 EP disclosed
EP-0739335-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
US-5519134-A ANTIINFLAMMATORY AGENTS ISIS PHARMACEUTICALS, INC. (US) 1996-05-21 US disclosed
WO-1995018792-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed