SCHEMBL8949150

SCHEMBL8949150

CN(C(=O)c1cnc(-c2ccc(C(=N)N)cc2)nc1)[C@H]1CC[C@H](C(=O)OC2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
F2 P00734 3/20 0.34
PRSS1 P07477 2/20 0.34
TPSAB1 Q15661 2/20 0.34
TPSD1 Q9BZJ3 2/20 0.34
TPSG1 Q9NRR2 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SYK P43405 2/20 0.34
S1PR1 P21453 1/20 0.33

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
SCHEMBL8949156 1.00 POLB (0.40) POLBHPGDLMNAMAPTNPC1
SCHEMBL8949356 0.87 TMPRSS15 (0.43) POLBHPGDEGLN1F2PRSS1
SCHEMBL8949363 0.87 TMPRSS15 (0.43) POLBHPGDEGLN1F2PRSS1
SCHEMBL8949176 0.85 POLB (0.36) POLBHPGDEGLN1F2PRSS1
SCHEMBL8949178 0.85 POLB (0.36) POLBHPGDEGLN1F2PRSS1
SCHEMBL8948981 0.84 GPR119 (0.38) POLBHPGDGPR119EGLN1SYK
SCHEMBL8948974 0.84 GPR119 (0.38) POLBHPGDGPR119EGLN1SYK
SCHEMBL8949416 0.84 ITGB3 (0.39) POLBEGLN1F2PRSS1SYK
SCHEMBL8949414 0.84 ITGB3 (0.39) POLBEGLN1F2PRSS1SYK
Hydrochloric Acid SCHEMBL9568096 0.81 MCHR1 (0.37) LMNAMAPTGPR119F2PRSS1

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