SCHEMBL2431542

SCHEMBL2431542

c1cncc(C2(C3CC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
CYP11B2 P19099 1/20 0.39
CYP3A4 P08684 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA7 P36544 3/20 0.38
CHRNA1 P02708 2/20 0.38
CHRNG P07510 2/20 0.38
CHRNB1 P11230 2/20 0.38
CHRND Q07001 2/20 0.38
ALDH1A1 P00352 7/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL498559 0.74 SLC6A2 (0.46) OPRM1OPRL1
Hydrochloric Acid SCHEMBL31330711 0.74 SLC6A2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30268951 0.70 SLC6A2 (0.53) CYP3A4CYP1A2
SCHEMBL3470066 0.70 SLC6A2 (0.53) CYP3A4CYP1A2
SCHEMBL24867577 0.69 ALDH1A1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17033073 0.69 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11971740 0.69 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27865488 0.69 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28026345 0.69 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27996642 0.69 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3

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-2011109679-A2 INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed