SCHEMBL4428607

SCHEMBL4428607

COc1ccc(F)cc1-c1cc(OC(=O)NN2CCCCC2)c(C)n1CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
CCNT1 O60563 11/20 0.38
CDK9 P50750 11/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
LIPE Q05469 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL4418668 0.90 PLA2G2A (0.43) KDM4EALDH1A1KMT2ALIPE
SCHEMBL3928219 0.87 CNR1 (0.44) HTR2CCCNT1CDK9ALDH1A1KMT2A
SCHEMBL4429365 0.84 CNR1 (0.36) KMT2ALIPE
SCHEMBL3927942 0.84 CNR1 (0.41) CCNT1CDK9GRIN1GRIN2B
SCHEMBL14365682 0.80 HTR2C (0.39) HTR2CCCNT1CDK9GRIN1GRIN2B
SCHEMBL4417085 0.79 CNR1 (0.47)
SCHEMBL4429813 0.79 CNR1 (0.59) ALDH1A1LIPE
SCHEMBL13717249 0.78 LMNA (0.40) HTR2CCCNT1CDK9ALDH1A1KMT2A
SCHEMBL4422551 0.78 PLA2G2A (0.44) ALDH1A1KMT2A
SCHEMBL4425373 0.78 CNR1 (0.40) HTR2CLIPE

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-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP claimed