SCHEMBL7229126

SCHEMBL7229126

N#CC1(c2cncc(Cl)c2)CC2CCC(C1)N2Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 1/20 0.39
OPRL1 P41146 1/20 0.38
RET P07949 3/20 0.36
PGR P06401 2/20 0.35
ADRA1D P25100 1/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TRPV6 Q9H1D0 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRD1 P41143 1/20 0.34
AGTR1 P30556 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.33
DRD1 P21728 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL7221508 0.86 OPRL1 (0.43) OPRM1OPRK1KCNH2OPRL1RET
SCHEMBL7685312 0.82 OPRL1 (0.39) OPRM1OPRK1KCNH2OPRL1RET
SCHEMBL7223226 0.79 HRH3 (0.46) OPRM1OPRK1KCNH2OPRL1DRD2
SCHEMBL7229259 0.79 OPRL1 (0.36) OPRL1
SCHEMBL7228313 0.79 DRD2 (0.34) OPRL1DRD2DRD4DRD3
SCHEMBL7231396 0.78 AR (0.32) OPRL1HTR2A
SCHEMBL7222792 0.78 DRD2 (0.41) OPRL1DRD2DRD4DRD3
SCHEMBL7890200 0.78 KDM4E (0.37) OPRK1KCNH2MAPTOPRL1RET
SCHEMBL16565846 0.77 OPRL1 (0.35) OPRL1
SCHEMBL7221392 0.77 OPRL1 (0.37) 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 7 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
US-5922732-A INSECTICIDES, MITICIDES AND NEMATOCIDES ZENECA LIMITED (GB) 1999-07-13 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