SCHEMBL7980982

SCHEMBL7980982

CCOC(=O)C1(c2ccc(NC)c(N)c2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.45
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
ALOX15 P16050 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL7979477 0.81 KMT2A (0.47) OPRM1ALOX15
SCHEMBL28305036 0.77 OPRM1 (0.56) OPRM1
SCHEMBL20703716 0.77 OPRM1 (0.48) OPRM1
SCHEMBL20703502 0.76 OPRM1 (0.59) OPRM1CHRM2CHRM1
SCHEMBL20703426 0.76 OPRM1 (0.50) OPRM1
SCHEMBL6164268 0.76 OPRM1 (0.53) OPRM1
SCHEMBL23005733 0.75 OPRM1 (0.40) OPRM1
SCHEMBL23005576 0.75 OPRM1 (0.41) OPRM1
SCHEMBL8032987 0.74 PRKCI (0.53)
SCHEMBL12273671 0.74 OPRM1 (0.56) OPRM1

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed