SCHEMBL7229908

SCHEMBL7229908

N#CC1(c2cccnc2)CC2CCC(C1)N2CCF

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
OPRL1 P41146 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HSD11B1 P28845 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7228426 0.88 GAA (0.44) NPSR1OPRL1ALDH1A1HSD17B10GAA
SCHEMBL7221945 0.85 SMN1; SMN2 (0.41) NPSR1OPRL1ALDH1A1HSD17B10GAA
SCHEMBL7230273 0.83 OPRL1 (0.44) NPSR1OPRL1ALDH1A1GAACHRM2
SCHEMBL7222128 0.82 ALDH1A1 (0.53) NPSR1OPRL1ALDH1A1HSD17B10CHRM2
SCHEMBL7222159 0.78 SMN1; SMN2 (0.52) NPSR1OPRL1ALDH1A1HSD17B10GAA
SCHEMBL22629830 0.76 HSD11B1 (0.40) NPSR1OPRL1ALDH1A1CHRM2CHRM4
SCHEMBL7224279 0.74 ALDH1A1 (0.46) NPSR1OPRL1ALDH1A1GAACHRM2
SCHEMBL22629246 0.73 HSD11B1 (0.40) NPSR1OPRL1ALDH1A1GAACHRM2
SCHEMBL7688352 0.73 HSD11B1 (0.39) NPSR1OPRL1CHRM2CHRM4CHRM5
SCHEMBL7224072 0.72 CHRNB2 (0.43) NPSR1OPRL1ALDH1A1CHRM2CHRM4

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