SCHEMBL8949217

SCHEMBL8949217

N=C(N)c1ccc(-c2cc(C(=O)N[C@H]3CC[C@H](C(=O)OC4CCCCC4)CC3)c(=O)n(CC(=O)N3CCOCC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.42
CNR1 P21554 6/20 0.42
BMPR1B O00238 3/20 0.41
BMPR1A P36894 3/20 0.41
TGFBR1 P36897 3/20 0.41
ACVRL1 P37023 3/20 0.41
ACVR1 Q04771 3/20 0.41
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F2 P00734 2/20 0.36
F10 P00742 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
PRSS1 P07477 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36

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
SCHEMBL8949249 0.91 CNR2 (0.41) CNR2CNR1BMPR1BBMPR1ATGFBR1
SCHEMBL8949281 0.90 CNR2 (0.40) CNR2CNR1BMPR1BBMPR1ATGFBR1
SCHEMBL8948967 0.89 POLB (0.47) CNR2CNR1ALDH1A1HPGDTP53
SCHEMBL8949199 0.88 ITGB3 (0.43) CNR2CNR1BMPR1BBMPR1ATGFBR1
Hydrochloric Acid SCHEMBL8949111 0.88 ITGB3 (0.43) CNR2CNR1BMPR1BBMPR1ATGFBR1
SCHEMBL9571678 0.82 CNR2 (0.40) CNR2CNR1BMPR1BBMPR1ATGFBR1
SCHEMBL8949028 0.78 HPGD (0.38) CNR2CNR1ALDH1A1HPGD
SCHEMBL9260471 0.78 CNR2 (0.41) CNR2CNR1HPGD
Hydrochloric Acid SCHEMBL8949338 0.78 CNR2 (0.45) CNR2CNR1HPGDF2F10
SCHEMBL8949242 0.78 POLB (0.39) ALDH1A1HPGDUSP2TP53ITGB3

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