SCHEMBL8035773

SCHEMBL8035773

COc1ccc2[nH]c3c(c2c1)CCN(C(C)=O)C31CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
BAZ2B Q9UIF8 1/20 0.52
OPRM1 P35372 2/20 0.51
OGFRL1 Q5TC84 2/20 0.51
MAPKAPK2 P49137 2/20 0.47
CFTR P13569 6/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
TRPA1 O75762 3/20 0.45
TRPV1 Q8NER1 2/20 0.45
SIRT1 Q96EB6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8036143 0.89 MAPKAPK2 (0.48) KDRBAZ2BMAPKAPK2CFTRCHRNB2
SCHEMBL7498322 0.84 BAZ2B (0.56) KDRBAZ2BMAPKAPK2CHRNB2CHRNB4
SCHEMBL6278936 0.80 DRD2 (0.46) KDRBAZ2BOPRM1OGFRL1MAPKAPK2
SCHEMBL6496428 0.80 CFTR (0.47) KDRBAZ2BOPRM1OGFRL1MAPKAPK2
SCHEMBL6280446 0.80 CFTR (0.47) BAZ2BOPRM1OGFRL1CFTRCHRNB2
SCHEMBL6283290 0.79 CFTR (0.52) BAZ2BOPRM1OGFRL1MAPKAPK2CFTR
SCHEMBL6280948 0.79 CFTR (0.43) KDRBAZ2BOPRM1OGFRL1MAPKAPK2
SCHEMBL6278024 0.79 CFTR (0.44) KDRBAZ2BOPRM1OGFRL1CFTR
SCHEMBL6280942 0.78 CFTR (0.43) KDRBAZ2BOPRM1OGFRL1CFTR
SCHEMBL6282975 0.77 CFTR (0.45) OPRM1OGFRL1CFTR

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
US-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 US disclosed