SCHEMBL4855972

SCHEMBL4855972

CC1(C)Cc2cc(Cl)cc(OCC(O)CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)c2O1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.65
OPRM1 P35372 16/20 0.50
PLD2 O14939 1/20 0.47
PLD1 Q13393 1/20 0.47

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
Hydrochloric Acid SCHEMBL4787601 0.90 OPRL1 (0.59) OPRL1OPRM1
Water SCHEMBL4912684 0.90 OPRL1 (0.52) OPRL1OPRM1PLD2PLD1
Hydrochloric Acid SCHEMBL4789324 0.81 OPRL1 (0.48) OPRL1OPRM1PLD2PLD1
SCHEMBL4753001 0.79 DRD2 (0.58) OPRL1OPRM1PLD2PLD1
SCHEMBL11651024 0.79 OPRL1 (1.00) OPRL1OPRM1
Hydrochloric Acid SCHEMBL4788380 0.77 OPRM1 (0.58) OPRL1OPRM1
Hydrochloric Acid SCHEMBL4787968 0.77 OPRL1 (0.59) OPRL1OPRM1PLD2PLD1
Hydrochloric Acid SCHEMBL4787868 0.77 DRD2 (0.50) OPRL1OPRM1PLD2PLD1
SCHEMBL4805093 0.76 OPRL1 (0.69) OPRL1OPRM1PLD2PLD1
SCHEMBL11395925 0.75 OPRL1 (0.71) OPRL1OPRM1

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
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed