SCHEMBL8949249

SCHEMBL8949249

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.41
CNR1 P21554 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
ALDH1A1 P00352 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL8948967 0.94 POLB (0.47) CNR2CNR1HPGDPOLBSMN1; SMN2
SCHEMBL8949199 0.92 ITGB3 (0.43) CNR2CNR1HPGDPOLBBMPR1B
SCHEMBL9571678 0.91 CNR2 (0.40) CNR2CNR1HPGDPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL8949111 0.91 ITGB3 (0.43) CNR2CNR1HPGDPOLBBMPR1B
SCHEMBL8949217 0.91 CNR2 (0.42) CNR2CNR1HPGDBMPR1BBMPR1A
SCHEMBL8949281 0.90 CNR2 (0.40) CNR2CNR1HPGDPOLBBMPR1B
Hydrochloric Acid SCHEMBL8949338 0.88 CNR2 (0.45) CNR2CNR1HPGDSMN1; SMN2F2
SCHEMBL9260471 0.87 CNR2 (0.41) CNR2CNR1HPGDPOLBCFTR
SCHEMBL8949028 0.87 HPGD (0.38) CNR2CNR1HPGDPOLBSMN1; SMN2
SCHEMBL8949242 0.87 POLB (0.39) HPGDPOLBSMN1; SMN2ALDH1A1F2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP claimed
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
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 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