SCHEMBL7230570

SCHEMBL7230570

CC(C)(C)NC(=O)N1C2CCC1CC(C#N)(c1cncc(Cl)c1)C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RIPK2 O43353 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OPRL1 P41146 1/20 0.32
CHEK1 O14757 1/20 0.32
GRM5 P41594 2/20 0.31
CNR2 P34972 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP3A5 P20815 1/20 0.30
F11 P03951 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
SCHEMBL7223809 0.85 GRM5 (0.36) GAAHTTMEN1KMT2ACYP2C19
SCHEMBL8184433 0.84 OPRL1 (0.36) GAAMEN1KMT2AALDH1A1RIPK2
SCHEMBL8174171 0.84 OPRL1 (0.36) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL7222052 0.82 OPRL1 (0.35) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8188621 0.81 NPSR1 (0.34) GAAMEN1KMT2AALDH1A1RIPK2
SCHEMBL7222906 0.81 OPRL1 (0.35) GAACYP2C19ALDH1A1RIPK2NPSR1
SCHEMBL7952198 0.80 GRM5 (0.41) GAARIPK2NPSR1OPRL1GRM5
SCHEMBL7221541 0.80 OPRL1 (0.36) OPRL1
SCHEMBL8446313 0.79 JAK3 (0.35) RIPK2CHEK1
SCHEMBL6573291 0.78 OPRL1 (0.38) 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 5 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
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