SCHEMBL8949028

SCHEMBL8949028

COC(=O)[C@H]1CC[C@H](NC(=O)c2cc(-c3ccc(C(=N)NC(=O)OCOC(C)=O)cc3)nn(CC(=O)N3CCOCC3)c2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
CNR2 P34972 15/20 0.37
CNR1 P21554 5/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
LIPG Q9Y5X9 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
SCHEMBL9571678 0.94 CNR2 (0.40) HPGDPOLBCNR2CNR1ALDH1A1
SCHEMBL8949249 0.87 CNR2 (0.41) HPGDPOLBCNR2CNR1ALDH1A1
SCHEMBL8949068 0.87 POLB (0.41) HPGDPOLBCNR2CNR1ALDH1A1
SCHEMBL8948967 0.82 POLB (0.47) HPGDPOLBCNR2CNR1ALDH1A1
SCHEMBL9260471 0.82 CNR2 (0.41) HPGDPOLBCNR2CNR1
SCHEMBL8949199 0.79 ITGB3 (0.43) HPGDPOLBCNR2CNR1ALDH1A1
SCHEMBL8949281 0.79 CNR2 (0.40) HPGDPOLBCNR2CNR1ALDH1A1
SCHEMBL8949217 0.78 CNR2 (0.42) HPGDCNR2CNR1ALDH1A1
Hydrochloric Acid SCHEMBL8949111 0.78 ITGB3 (0.43) HPGDPOLBCNR2CNR1ALDH1A1
SCHEMBL8948977 0.77 FAAH (0.41) CNR2CNR1

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-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed