SCHEMBL382399

SCHEMBL382399

CC(C)(C)N(OC(=O)CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.40
ITGAV P06756 3/20 0.40
ITGA2B P08514 3/20 0.40
CCNT1 O60563 4/20 0.37
CCNA2 P20248 4/20 0.37
CDK2 P24941 4/20 0.37
CDK9 P50750 4/20 0.37
CCNA1 P78396 4/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM4 P08173 2/20 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
SCHEMBL383135 0.91 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL381718 0.89 ALDH1A1 (0.38) ITGB3ITGAVITGA2BCCNT1CCNA2
SCHEMBL382907 0.88 GRIN2B (0.35) ITGB3ITGAVCCNT1CCNA2CDK2
SCHEMBL6499236 0.88 CNR1 (0.37) KMT2AALDH1A1MAPTLMNAMAPK1
SCHEMBL384052 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BKMT2AALDH1A1
SCHEMBL383372 0.84 ITGB3 (0.42) ITGB3ITGAVITGA2BHPGDSMN1; SMN2
SCHEMBL382456 0.83 ITGB3 (0.47) ITGB3ITGAVITGA2BALDH1A1MAPT
SCHEMBL382401 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2BKMT2AALDH1A1
SCHEMBL7544324 0.81 ITGB3 (0.42) ITGB3ITGAVITGA2BKMT2AALDH1A1
SCHEMBL383437 0.81 ITGB3 (0.47) ITGB3ITGAVITGA2BKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed