SCHEMBL8649797

SCHEMBL8649797

CCCCCNC(=N)c1ccc(C(=O)Nc2ccc3c(c2)CCC(OC(C)=O)O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 3/20 0.38
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
HPGD P15428 1/20 0.37
NAMPT P43490 1/20 0.37
SLC8A1 P32418 1/20 0.37
NR1H4 Q96RI1 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
Hydrochloric Acid SCHEMBL8654066 0.92 ITGB3 (0.45) ITGB3ITGA2BRAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8652062 0.85 ITGB3 (0.47) ITGB3ITGA2BRAB9ASMN1; SMN2KMT2A
SCHEMBL6948904 0.84 ITGB3 (0.69) ITGB3ITGA2BRAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8540819 0.83 ITGB3 (0.68) ITGB3ITGA2BRAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8655245 0.82 ITGB3 (0.48) ITGB3ITGA2BRAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6948859 0.82 ITGB3 (0.55) ITGB3ITGA2BRAB9ASMN1; SMN2KMT2A
SCHEMBL6951962 0.81 ITGB3 (0.70) ITGB3ITGA2BRAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6957966 0.80 ITGB3 (0.56) ITGB3ITGA2BRAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8649424 0.80 ITGB3 (0.49) ITGB3ITGA2BRAB9ASMN1; SMN2KMT2A
SCHEMBL6958047 0.78 ITGB3 (0.73) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731324-A Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed