SCHEMBL8943728

SCHEMBL8943728

CC(C(=O)O)[C@@H]1C[C@@H](C(N)C(=O)CCc2ccc(N)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
FAAH O00519 15/20 0.38
MGLL Q99685 1/20 0.35
MAOB P27338 1/20 0.34
OPRK1 P41145 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
SCHEMBL7280204 0.83 SIGMAR1 (0.39) SIGMAR1FAAHMAOB
SCHEMBL7275947 0.76 ALDH1A1 (0.37) SIGMAR1FAAH
SCHEMBL7272761 0.72 SIGMAR1 (0.43) SIGMAR1FAAHMAOBOPRK1
SCHEMBL7282203 0.72 SIGMAR1 (0.43) SIGMAR1
SCHEMBL7283910 0.71 SIGMAR1 (0.40) SIGMAR1
SCHEMBL7281748 0.70 SIGMAR1 (0.40) SIGMAR1
SCHEMBL7274357 0.70 SIGMAR1 (0.40) SIGMAR1
SCHEMBL7272947 0.70 SIGMAR1 (0.40) SIGMAR1
SCHEMBL7276485 0.70 ITGB3 (0.41)
SCHEMBL7281905 0.68 GAA (0.37)

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-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed