SCHEMBL7497979

SCHEMBL7497979

N#CC1(c2cncc(Cl)c2)CC2CCC(C1)N2Cc1ccc(C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.41
OPRK1 P41145 2/20 0.41
KCNH2 Q12809 2/20 0.41
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 1/20 0.38
HSD17B10 Q99714 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
P2RX3 P56373 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
OPRL1 P41146 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
Potassium Ion SCHEMBL7221815 0.90 KCNH2 (0.38) LTA4HOPRK1KCNH2DRD2DRD4
SCHEMBL7221508 0.87 OPRL1 (0.43) OPRK1KCNH2DRD2DRD4DRD3
SCHEMBL7685312 0.83 OPRL1 (0.39) OPRK1KCNH2DRD2DRD4DRD3
SCHEMBL7222792 0.83 DRD2 (0.41) DRD2DRD4DRD3OPRL1
SCHEMBL7228348 0.81 OPRL1 (0.35) OPRK1KCNH2DRD2DRD4DRD3
SCHEMBL7221575 0.79 OPRL1 (0.34) OPRL1
SCHEMBL7890200 0.79 KDM4E (0.37) OPRK1KCNH2DRD2DRD4DRD3
SCHEMBL7223226 0.78 HRH3 (0.46) OPRK1KCNH2DRD2DRD4DRD3
SCHEMBL8174171 0.78 OPRL1 (0.36) HCAR2OPRL1
SCHEMBL8184433 0.78 OPRL1 (0.36) HCAR2OPRL1

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-0828739-B1 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LTD (GB) 2002-09-11 EP disclosed