SCHEMBL5583722

SCHEMBL5583722

COc1ccnc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.62
FAAH O00519 6/20 0.56
PKM P14618 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CNR1 P21554 1/20 0.49
EPHX2 P34913 1/20 0.48
PABPC1 P11940 1/20 0.46
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5583683 0.82 P2RX7 (0.59) CNR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL14284458 0.75 EGLN1 (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5583588 0.75 TAS1R3 (0.53) KDM4EALDH1A1MAPT
SCHEMBL14284406 0.74 KMT2A (0.39) CNR2PKMMEN1KMT2ATSHR
SCHEMBL17905449 0.74 CNR2 (0.38) CNR2FAAHPKMMEN1KMT2A
SCHEMBL17905450 0.74 CNR2 (0.38) CNR2FAAHPKMMEN1KMT2A
SCHEMBL14284421 0.73 KMT2A (0.39) CNR2PKMMEN1KMT2ATSHR
SCHEMBL14159852 0.73 KMT2A (0.39) CNR2PKMMEN1KMT2AKDM4E
SCHEMBL14284332 0.73 KMT2A (0.39) CNR2PKMMEN1KMT2ATSHR
SCHEMBL5583854 0.73 TAS1R3 (0.48) TSHRKDM4EALDH1A1HPGDHTT

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
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed