SCHEMBL7229738

SCHEMBL7229738

C[C@H](c1ccccc1)N1C2CCC1CC(C#N)(c1cncc(Cl)c1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.48
OPRM1 P35372 9/20 0.37
OPRK1 P41145 7/20 0.37
KCNH2 Q12809 5/20 0.37
OPRD1 P41143 2/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 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
SCHEMBL7229741 1.00 OPRL1 (0.48) OPRL1OPRM1OPRK1KCNH2OPRD1
SCHEMBL7228391 0.87 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1
SCHEMBL7230266 0.85 OPRL1 (0.44) OPRL1OPRM1
SCHEMBL7229847 0.83 OPRL1 (0.42) OPRL1OPRM1
SCHEMBL7228623 0.83 OPRL1 (0.44) OPRL1OPRM1OPRK1KCNH2OPRD1
SCHEMBL6617335 0.81 OPRL1 (0.41) OPRL1OPRM1CYP1A2CYP2D6TSHR
SCHEMBL7221508 0.79 OPRL1 (0.43) OPRL1OPRM1OPRK1KCNH2OPRD1
SCHEMBL6613896 0.77 OPRL1 (0.37) OPRL1OPRM1
SCHEMBL6573291 0.77 OPRL1 (0.38) OPRL1
SCHEMBL6574374 0.77 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 2 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-6207676-B1 Bicyclic amines ZENECA LIMITED (GB) 2001-03-27 US disclosed