SCHEMBL7228283

SCHEMBL7228283

C=C(OCC)c1cncc(C2(C#N)CC3CCC(C2)N3C)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.33
OPRL1 P41146 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7223638 0.81 RIPK2 (0.35) RIPK2OPRL1
SCHEMBL7221029 0.80 CHRNB2 (0.36) OPRL1
SCHEMBL16139986 0.79 OPRL1 (0.36) RIPK2OPRL1
SCHEMBL7223737 0.78 OPRL1 (0.36) RIPK2OPRL1HSD17B10
SCHEMBL7230387 0.76 KMT2A (0.40) OPRL1HSD17B10
SCHEMBL7228357 0.76 CYP2C9 (0.38) RIPK2
SCHEMBL7222900 0.75 OPRL1 (0.36) RIPK2OPRL1
SCHEMBL6617335 0.75 OPRL1 (0.41) OPRL1HSD17B10
SCHEMBL7223397 0.75 OPRL1 (0.36) OPRL1
SCHEMBL7223956 0.75 OPRL1 (0.36) OPRL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6573275-B1 Insecticidal compositions comprising and to methods of combatting and controlling insect pests therewith. SYNGENTA LIMITED (GB) 2003-06-03 US disclosed
EP-0828739-B1 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LTD (GB) 2002-09-11 EP disclosed
US-6391883-B1 INSECTICIDES SYNGENTA LIMITED (GB) 2002-05-21 US disclosed
US-6207676-B1 Bicyclic amines ZENECA LIMITED (GB) 2001-03-27 US disclosed
EP-0828739-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1998-03-18 EP disclosed
WO-1996037494-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1996-11-28 WO disclosed