SCHEMBL6574294

SCHEMBL6574294

N#CC1(c2cncc(Cl)c2)CC2CCC(C1)N2OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.39
TSHR P16473 2/20 0.36
KMT2A Q03164 1/20 0.36
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRNA7 P36544 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RIPK2 O43353 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7685383 0.88 TSHR (0.39) TSHRKMT2AALDH1A1
SCHEMBL6577249 0.84 OPRL1 (0.33) OPRL1RIPK2
SCHEMBL8174171 0.78 OPRL1 (0.36) OPRL1KMT2AALDH1A1RIPK2GAA
SCHEMBL8184433 0.78 OPRL1 (0.36) OPRL1KMT2AALDH1A1RIPK2GAA
SCHEMBL7221242 0.78 OPRL1 (0.39) OPRL1OPRK1KCNH2ALDH1A1
SCHEMBL7228348 0.77 OPRL1 (0.35) OPRL1OPRK1KCNH2ALDH1A1
SCHEMBL7221508 0.77 OPRL1 (0.43) OPRL1OPRK1KCNH2ALDH1A1
SCHEMBL6573291 0.77 OPRL1 (0.38) OPRL1
SCHEMBL7228623 0.77 OPRL1 (0.44) OPRL1OPRK1KCNH2ALDH1A1CYP2C9
SCHEMBL7222052 0.76 OPRL1 (0.35) OPRL1KMT2AALDH1A1RIPK2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901490-B1 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LTD (GB) 2004-04-07 EP disclosed
EP-0901490-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043286-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1997-11-20 WO disclosed