SCHEMBL7732444

SCHEMBL7732444

CCCC1CCC(C2CCC(C3(c4ccc(NCc5ccc(N)cc5)cc4)CCCCC3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.34
OPRD1 P41143 9/20 0.34
OPRK1 P41145 9/20 0.34
EPHX1 P07099 1/20 0.32
NFE2L2 Q16236 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GHSR Q92847 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
SCHEMBL7731754 0.90 OPRM1 (0.34) OPRM1OPRD1OPRK1EPHX1
SCHEMBL7733093 0.89 SIGMAR1 (0.34) OPRM1OPRD1OPRK1EPHX1
SCHEMBL10652906 0.77 CYP1A2 (0.40) NFE2L2ALDH1A1L3MBTL1
SCHEMBL7734349 0.76 SLC6A4 (0.43) OPRM1OPRK1
SCHEMBL9177824 0.72 SLC6A3 (0.42) OPRM1
SCHEMBL8435345 0.72 OPRM1 (0.41) OPRM1OPRK1
SCHEMBL9177828 0.72 SLC6A3 (0.42) OPRM1
SCHEMBL6363195 0.70 ALDH1A1 (0.43) NFE2L2ALDH1A1L3MBTL1
SCHEMBL6363196 0.70 ALDH1A1 (0.43) NFE2L2ALDH1A1L3MBTL1
SCHEMBL10612749 0.69 OPRD1 (0.36) OPRD1

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-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US disclosed