SCHEMBL8097591

SCHEMBL8097591

CCc1ccccc1N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.58
OPRM1 P35372 11/20 0.58
OPRD1 P41143 11/20 0.58
OPRK1 P41145 11/20 0.58
POLB P06746 1/20 0.49
HSD11B1 P28845 1/20 0.48
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL8099061 0.91 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1POLB
SCHEMBL11711744 0.82 OPRL1 (0.46) OPRL1OPRM1OPRD1OPRK1POLB
SCHEMBL7093690 0.78 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1POLB
SCHEMBL9373502 0.78 OPRM1 (0.48) OPRL1OPRM1OPRD1OPRK1
SCHEMBL18916776 0.77 OPRM1 (0.46) OPRL1OPRM1OPRD1OPRK1POLB
SCHEMBL10424519 0.77 HTR1A (0.59)
SCHEMBL11621822 0.77 PKM (0.40) OPRL1OPRM1OPRD1OPRK1
SCHEMBL8213555 0.75 OPRL1 (0.67) OPRL1OPRM1OPRD1OPRK1POLB
SCHEMBL27345562 0.74 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1POLB
SCHEMBL17543847 0.74 KMT2A (0.44)

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-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US claimed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed