SCHEMBL6924486

SCHEMBL6924486

C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)O)cc2)c2cccc(OC)c2)C[C@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 1.00
OPRM1 P35372 6/20 0.82
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
CYP3A4 P08684 2/20 0.79
CYP2D6 P10635 2/20 0.79
LMNA P02545 1/20 0.79
BLM P54132 1/20 0.79
PMP22 Q01453 1/20 0.79
CYP1A2 P05177 1/20 0.79
MAPT P10636 1/20 0.79
OPRK1 P41145 1/20 0.79
TDP1 Q9NUW8 1/20 0.79
NFKB1 P19838 1/20 0.79

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
Snc-80 SCHEMBL12019443 0.89 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
Snc-80 SCHEMBL724753 0.89 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
Snc-80 SCHEMBL29489341 0.89 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
Snc-80 SCHEMBL7233538 0.89 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
Snc-80 SCHEMBL1514203 0.89 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
Snc-80 SCHEMBL1514202 0.89 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
Snc-80 SCHEMBL3366042 0.89 OPRD1 (1.00) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL3565736 0.88 OPRD1 (0.78) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL6935564 0.88 OPRD1 (0.78) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL13440482 0.88 OPRD1 (0.78) OPRD1OPRM1CYP3A4CYP1A2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514975-B1 Tetrazoles as selective agonists for the delta opioid receptor PFIZER INC 2003-02-04 US disclosed