SCHEMBL7992407

SCHEMBL7992407

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=N)NO)cc1)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
LMNA P02545 1/20 0.41
HCRTR2 O43614 5/20 0.40
KMT2A Q03164 3/20 0.39
CA2 P00918 1/20 0.38
HCRTR1 O43613 3/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
WDR5 P61964 1/20 0.35
ADORA1 P30542 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
SCHEMBL7986354 0.94 ITGB3 (0.47) ITGB3ITGA2BLMNAHCRTR2KMT2A
SCHEMBL7988424 0.92 ITGB3 (0.57) ITGB3ITGA2BLMNAHCRTR2KMT2A
Hydrochloric Acid SCHEMBL7986317 0.92 ITGB3 (0.56) ITGB3ITGA2BLMNAHCRTR2KMT2A
Trifluoroacetic Acid SCHEMBL7989225 0.91 ITGB3 (0.48) ITGB3ITGA2BLMNAHCRTR2KMT2A
Trifluoroacetic Acid SCHEMBL8133864 0.89 ITGB3 (0.55) ITGB3ITGA2BLMNAHCRTR2KMT2A
Trifluoroacetic Acid SCHEMBL7975353 0.88 ITGB3 (0.44) ITGB3ITGA2BLMNAHCRTR2KMT2A
SCHEMBL7985559 0.84 ADORA1 (0.50) ITGB3ITGA2BLMNAHCRTR2KMT2A
SCHEMBL7986520 0.84 ITGB3 (0.49) ITGB3ITGA2BLMNAHCRTR2KMT2A
SCHEMBL7985777 0.84 ITGB3 (0.41) ITGB3ITGA2BLMNAHCRTR2KMT2A
Trifluoroacetic Acid SCHEMBL7989116 0.83 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AHCRTR1

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
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP claimed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed