SCHEMBL9759942

SCHEMBL9759942

CCC1(C)CC(OC(=O)CC(=O)OC2CC(C)(CC)N(C)C(C)(CC)C2C)C(C)C(C)(CC)N1C.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.35
OPRK1 P41145 6/20 0.35
OPRD1 P41143 4/20 0.35
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 0.35
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GRM2 Q14416 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL11534823 0.81 GAA (0.44) MEN1TSHRKMT2A
SCHEMBL537552 0.81 PTPN1 (0.34) OPRM1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL11533907 0.79
SCHEMBL2036260 0.78 HTR2C (0.30)
SCHEMBL11532915 0.77 CTSL (0.36) OPRM1OPRK1OPRD1OPRL1BCHE
SCHEMBL11533442 0.77 NAAA (0.34)
SCHEMBL2834466 0.76 NAAA (0.36)
SCHEMBL11169339 0.76 KDM4E (0.30) OPRM1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL11536002 0.75 GRM6 (0.37) TSHRKMT2ABCHE
SCHEMBL11532289 0.75 CYP3A4 (0.31) CYP3A4

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-5057562-A Using steric hindered amine stabilizer CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed