SCHEMBL8949281

SCHEMBL8949281

N=C(N)c1ccc(-c2cc(C(=O)N[C@H]3CC[C@H](C(=O)OCC4CCCCC4)CC3)c(=O)n(CC(=O)N3CCOCC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.40
CNR1 P21554 9/20 0.40
BMPR1B O00238 3/20 0.40
BMPR1A P36894 3/20 0.40
TGFBR1 P36897 3/20 0.40
ACVRL1 P37023 3/20 0.40
ACVR1 Q04771 3/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35

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
SCHEMBL8949217 0.90 CNR2 (0.42) CNR2CNR1BMPR1BBMPR1ATGFBR1
SCHEMBL8948967 0.90 POLB (0.47) CNR2CNR1ITGB3ITGA2BPOLB
SCHEMBL8949249 0.90 CNR2 (0.41) CNR2CNR1BMPR1BBMPR1ATGFBR1
SCHEMBL8949199 0.87 ITGB3 (0.43) CNR2CNR1BMPR1BBMPR1ATGFBR1
Hydrochloric Acid SCHEMBL8949111 0.86 ITGB3 (0.43) CNR2CNR1BMPR1BBMPR1ATGFBR1
SCHEMBL9571678 0.81 CNR2 (0.40) CNR2CNR1BMPR1BBMPR1ATGFBR1
SCHEMBL9260471 0.79 CNR2 (0.41) CNR2CNR1POLBHPGD
SCHEMBL8949028 0.79 HPGD (0.38) CNR2CNR1POLBALDH1A1HPGD
SCHEMBL8949068 0.78 POLB (0.41) CNR2CNR1POLBALDH1A1HPGD
Hydrochloric Acid SCHEMBL8949338 0.77 CNR2 (0.45) CNR2CNR1HPGDF2F10

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 3 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
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