SCHEMBL7876407

SCHEMBL7876407

CCC[C@]1(c2cccc(O)c2)CCNC[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.46
OPRK1 P41145 6/20 0.46
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL7876410 1.00 OPRM1 (0.46) OPRM1OPRK1DRD2DRD3
SCHEMBL7876411 1.00 OPRM1 (0.46) OPRM1OPRK1DRD2DRD3
SCHEMBL11452779 0.90 OPRM1 (0.49) OPRM1OPRK1DRD2DRD3
SCHEMBL11471276 0.84 OPRM1 (0.40) OPRM1
SCHEMBL11451165 0.84 OPRM1 (0.40) OPRM1
SCHEMBL11451164 0.84 OPRM1 (0.40) OPRM1
Picenadol SCHEMBL488873 0.77 OPRM1 (0.64) OPRM1OPRK1
Picenadol SCHEMBL11463345 0.77 OPRM1 (0.64) OPRM1OPRK1
Picenadol SCHEMBL10389202 0.77 OPRM1 (0.64) OPRM1OPRK1
Picenadol SCHEMBL10389864 0.77 OPRM1 (0.64) OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172073-B1 BENZIMIDAZOLYLOXY ALKANAMINES AS SEROTONIN REUPTAKE INHIBITORS; NICOTINE AND TOBACCO WITHDRAWAL; PSYCHOLOGICAL, EATING, BRAIN, GASTROINTESTINAL, SLEEP, AND SEXUAL DISORDERS ELI LILLY AND COMPANY 2001-01-09 US disclosed
US-5789402-A Compounds having effects on serotonin-related systems ELI LILLY COMPANY (US) 1998-08-04 US disclosed
US-5741789-A HETERO-OXY ALKANAMINES ELI LILLY AND COMPANY (US) 1998-04-21 US disclosed
US-5627196-A ANTIDEPRESSANTS AND ANTISEROTONIN AGENTS ELI LILLY AND COMPANY (US) 1997-05-06 US disclosed
US-5614523-A INDOLYLOXY COMPOUNDS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5576321-A ALKOXY-SUBSTITUTED INDOLES ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
WO-1996022290-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed