SCHEMBL4596692

SCHEMBL4596692

COc1cc2c(c(-c3c(C)cccc3C)c1)OC(CN(CCc1ccccc1)C(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.38
LPAR5 Q9H1C0 4/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FFAR1 O14842 3/20 0.36
ALOX5 P09917 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35

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
SCHEMBL4230194 0.84 PRKAB2 (0.40) MEN1KMT2AFFAR1KDM4EALDH1A1
SCHEMBL4596687 0.82 CA1 (0.40) FFAR1ALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL4224655 0.81 LPAR1 (0.39) LPAR1LPAR5MEN1KMT2AFFAR1
SCHEMBL6367712 0.80 TDP1 (0.41) LPAR1LPAR5MEN1KMT2AALDH1A1
SCHEMBL4230199 0.79 MTNR1A (0.39) FFAR1MAPTPRKAB2PRKAG1PRKAA2
SCHEMBL4225972 0.77 TDP1 (0.43) LPAR1LPAR5MEN1KMT2AALDH1A1
SCHEMBL4596685 0.77 POLB (0.37) MEN1KMT2AFFAR1KDM4EALDH1A1
SCHEMBL4226402 0.76 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596674 0.76 SIRT2 (0.39) LPAR1LPAR5MEN1KMT2ATDP1
SCHEMBL4595211 0.76 LMNA (0.38) LPAR1LPAR5MEN1KMT2AKDM4E

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
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed