SCHEMBL4753001

SCHEMBL4753001

CC1(C)Cc2cc(Cl)cc(OCCCN3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)c2O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.58
DRD3 P35462 7/20 0.58
SLC6A4 P31645 5/20 0.58
HTR1A P08908 5/20 0.58
HTR2A P28223 4/20 0.58
ADRA2A P08913 2/20 0.58
OPRM1 P35372 3/20 0.53
HRH1 P35367 3/20 0.53
HTR2B P41595 3/20 0.53
USP2 O75604 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
MEN1 O00255 1/20 0.53
SLC22A2 O15244 1/20 0.53
NR1I2 O75469 1/20 0.53
GMNN O75496 1/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53

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 SCHEMBL4787868 0.92 DRD2 (0.50) DRD2DRD3SLC6A4HTR1AHTR2A
SCHEMBL4753185 0.83 DRD2 (0.51) DRD2DRD3SLC6A4HTR1AHTR2A
SCHEMBL4788713 0.83 OPRM1 (0.48) DRD2DRD3SLC6A4HTR1AHTR2A
SCHEMBL4750828 0.83 HTR1A (0.51) DRD2DRD3SLC6A4HTR1AHTR2A
Hydrochloric Acid SCHEMBL4788380 0.82 OPRM1 (0.58) DRD2DRD3HTR1AHTR2AOPRM1
SCHEMBL4754022 0.80 OPRM1 (0.49) DRD2DRD3SLC6A4HTR1AHTR2A
SCHEMBL4855972 0.79 OPRL1 (0.65) OPRM1OPRL1PLD1PLD2
SCHEMBL4786661 0.78 KDM4E (0.40) DRD2SLC6A4CYP1A2CYP2D6MEN1
SCHEMBL4752455 0.76 OPRM1 (0.47) DRD2DRD3SLC6A4HTR1AHTR2A
Hydrochloric Acid SCHEMBL4817572 0.76 OPRM1 (0.45) DRD2DRD3SLC6A4HTR1AHTR2A

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