SCHEMBL9057441

SCHEMBL9057441

NC(=O)C1(NCCCCCC(CCCCCNC2(C(N)=O)CCCCC2)NC2(C(N)=O)CCCCC2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.35
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL3377284 0.74 SPHK1 (0.43) OPRL1
SCHEMBL354598 0.74 OPRL1 (0.37) OPRL1
SCHEMBL354907 0.74 OPRL1 (0.37) OPRL1
SCHEMBL352809 0.72 OPRL1 (0.38) OPRL1
SCHEMBL23974192 0.69 OPRL1 (0.42) OPRL1ALDH1A1CYP2D6
SCHEMBL12869546 0.68 ALDH1A1 (0.49) ALDH1A1CYP2D6
SCHEMBL19401585 0.67 GSR (0.41)
SCHEMBL24946123 0.67 KDM4E (0.38) OPRL1ALDH1A1CYP2D6
SCHEMBL8193648 0.66 ALDH1A1 (0.50) OPRL1ALDH1A1CYP2D6
SCHEMBL3582946 0.64 CPB2 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8027323-A None JP disclosed
JP-H0827323-A NUCLEATOR COMPOSITION AND POLYOLEFIN RESIN COMPOSITION NEW JAPAN CHEM CO LTD 1996-01-30 JP disclosed