SCHEMBL7697916

SCHEMBL7697916

N#CC1(c2cncc(Br)c2)CC2CCC(C1)N2c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.40
RIPK2 O43353 1/20 0.31
HTT P42858 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
TACR1 P25103 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
ALOX15 P16050 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7700751 0.83 OPRL1 (0.40) OPRL1TACR1SLC6A4KCNH2ALDH1A1
SCHEMBL7222900 0.81 OPRL1 (0.36) OPRL1RIPK2SLC6A4
SCHEMBL16554354 0.80 NPSR1 (0.35) OPRL1RIPK2HTTPOLBTAS1R3
SCHEMBL7972022 0.78 RIPK2 (0.32) OPRL1RIPK2
SCHEMBL16565906 0.76 OPRL1 (0.31) OPRL1
SCHEMBL16554204 0.76 OPRL1 (0.31) OPRL1
SCHEMBL16115749 0.74 OPRL1 (0.32) OPRL1RIPK2
SCHEMBL16554606 0.74 OPRL1 (0.32) OPRL1
SCHEMBL16135496 0.74 OPRL1 (0.32) OPRL1RIPK2
SCHEMBL16565769 0.74 OPRL1 (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002057262-A2 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LIMITED (GB) 2002-07-25 WO disclosed