SCHEMBL7222159

SCHEMBL7222159

COC(=O)CN1C2CCC1CC(C#N)(c1cccnc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 1/20 0.40
HSD11B1 P28845 1/20 0.39
OPRL1 P41146 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 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
SCHEMBL7221945 0.81 SMN1; SMN2 (0.41) SMN1; SMN2GAANPSR1HTTHSD11B1
SCHEMBL7228426 0.80 GAA (0.44) SMN1; SMN2GAAUSP2NPSR1HTT
SCHEMBL7230273 0.78 OPRL1 (0.44) GAANPSR1HTTMEN1KMT2A
SCHEMBL7229908 0.78 NPSR1 (0.40) SMN1; SMN2GAAUSP2NPSR1HTT
SCHEMBL7221812 0.77 NPSR1 (0.47) GAANPSR1HTTMEN1KMT2A
SCHEMBL7222128 0.77 ALDH1A1 (0.53) NPSR1MEN1KMT2AOPRL1ALDH1A1
SCHEMBL7221991 0.74 NPSR1 (0.47) SMN1; SMN2GAANPSR1HTTMEN1
SCHEMBL7224279 0.73 ALDH1A1 (0.46) SMN1; SMN2GAANPSR1HTTMEN1
SCHEMBL22629246 0.71 HSD11B1 (0.40) GAANPSR1MEN1KMT2AHSD11B1
SCHEMBL7690984 0.69 NPSR1 (0.36) GAANPSR1HTTMEN1KMT2A

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