SCHEMBL4750799

SCHEMBL4750799

CCC(Oc1cc(Cl)cc2c1OC(C)(C)C2)N1CCC(Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HTR2A P28223 1/20 0.36
FFAR4 Q5NUL3 6/20 0.35
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CCR5 P51681 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
RHOC P08134 1/20 0.32
RHOA P61586 1/20 0.32
PABPC1 P11940 1/20 0.31

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
SCHEMBL4752455 0.77 OPRM1 (0.47) HTR2A
SCHEMBL4750828 0.77 HTR1A (0.51) HTR2A
SCHEMBL4754005 0.76 DRD2 (0.42)
SCHEMBL4750439 0.75 SMN1; SMN2 (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL4817572 0.73 OPRM1 (0.45) HTR2A
Hydrochloric Acid SCHEMBL4789360 0.68 POLB (0.40) POLBALDH1A1
SCHEMBL18649397 0.66 HTR2A (0.49) POLBHTR2AFFAR4ALDH1A1
SCHEMBL4790529 0.66 EGFR (0.42) ALDH1A1
Hydrochloric Acid SCHEMBL4752998 0.65
SCHEMBL11457316 0.65 POLB (0.68) POLBALDH1A1RHOCRHOA

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