SCHEMBL4752471

SCHEMBL4752471

CCC(Oc1cc(Br)cc2c1OC(C)(C)C2)N1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.42
OPRL1 P41146 3/20 0.42
PLD2 O14939 5/20 0.41
PLD1 Q13393 5/20 0.41
HSD11B1 P28845 1/20 0.41
CHRM1 P11229 2/20 0.40
DRD2 P14416 2/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD4 P21917 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40

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 SCHEMBL4817572 0.90 OPRM1 (0.45) OPRM1OPRL1PLD2PLD1HSD11B1
SCHEMBL4750828 0.84 HTR1A (0.51) OPRM1PLD2PLD1HSD11B1CHRM1
SCHEMBL4753185 0.83 DRD2 (0.51) OPRM1OPRL1PLD2PLD1CHRM1
Hydrochloric Acid SCHEMBL4789324 0.81 OPRL1 (0.48) OPRM1OPRL1PLD2PLD1CHRM1
SCHEMBL4752455 0.79 OPRM1 (0.47) OPRM1OPRL1CHRM1DRD2HTR1A
SCHEMBL4750861 0.79 PLD2 (0.45) OPRM1OPRL1PLD2PLD1HSD11B1
Hydrochloric Acid SCHEMBL4787868 0.74 DRD2 (0.50) OPRM1OPRL1PLD2PLD1CHRM1
Hydrochloric Acid SCHEMBL4788380 0.72 OPRM1 (0.58) OPRM1OPRL1CHRM1DRD2KCNH2
SCHEMBL4754022 0.71 OPRM1 (0.49) OPRM1PLD2PLD1HSD11B1CHRM1
Hydrochloric Acid SCHEMBL4787601 0.71 OPRL1 (0.59) OPRM1OPRL1

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