SCHEMBL5848577

SCHEMBL5848577

CCCCC[C@@H](C)C12CCC(CC1)C2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9596276 0.80 LTB4R (0.30)
SCHEMBL5845787 0.80 LTB4R (0.30)
SCHEMBL9298866 0.74 MEN1 (0.35) MEN1KMT2A
SCHEMBL7176550 0.73 OPRM1 (0.34) OPRM1
SCHEMBL191884 0.68 GRIN2D (0.41)
SCHEMBL8517438 0.67 OPRM1 (0.42) OPRM1
SCHEMBL17928403 0.67 ALDH1A1 (0.37) MEN1KMT2A
SCHEMBL10791429 0.65 SLC22A2 (0.36)
Adamantane SCHEMBL28970317 0.65 OPRM1 (0.44) OPRM1
SCHEMBL892134 0.64

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
US-7015223-B1 Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US disclosed
US-7015230-B1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US disclosed