SCHEMBL8949216

SCHEMBL8949216

COC(=O)[C@H]1CC[C@H](Nc2ccc(-c3ccc(C(=N)N)cc3)nn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
F2 P00734 3/20 0.42
F10 P00742 1/20 0.42
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
TMPRSS15 P98073 3/20 0.40
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PDK1 Q15118 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
ACHE P22303 1/20 0.37
HCAR3 P49019 1/20 0.37

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
SCHEMBL8949224 1.00 PDGFRB (0.43) PDGFRBPDGFRAF2F10ITGB3
SCHEMBL8949083 0.88 ITGB3 (0.43) ITGB3ITGA2BPDK1ACHEHCAR3
SCHEMBL8949075 0.88 ITGB3 (0.43) ITGB3ITGA2BPDK1ACHEHCAR3
Hydrochloric Acid SCHEMBL8949349 0.84 ITGB3 (0.44) ITGB3ITGA2BHPGDRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8949208 0.83 HCAR3 (0.46) PDGFRBPDGFRAF2F10TMPRSS15
SCHEMBL8949227 0.81 PDGFRB (0.43) PDGFRBPDGFRAHPGDRAB9ASMN1; SMN2
SCHEMBL8949232 0.81 PDGFRB (0.43) PDGFRBPDGFRAHPGDRAB9ASMN1; SMN2
SCHEMBL9571676 0.80 ITGB3 (0.46) ITGB3ITGA2BPDK1ACHE
Hydrochloric Acid SCHEMBL8949354 0.79 ITGB3 (0.41) F2F10ITGB3ITGA2BTMPRSS15
SCHEMBL29817860 0.78 ACHE (0.48) PDGFRBPDGFRAHPGDRAB9ASMN1; SMN2

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