SCHEMBL7664584

SCHEMBL7664584

CC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)NCCC(=O)ONS(=O)(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.42
SFRP1 Q8N474 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
HPGDS O60760 1/20 0.41
NAMPT P43490 2/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
ITGAV P06756 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KCNA3 P22001 1/20 0.40
MAPK8 P45983 1/20 0.40
ADRB3 P13945 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GFER P55789 1/20 0.39
CASR P41180 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7470167 0.91 ITGB3 (0.43) CCR5SFRP1ITGB3ITGA2BITGAV
SCHEMBL7655428 0.86 HPGDS (0.44) SFRP1HPGDSITGB3ITGA2BITGAV
SCHEMBL383466 0.85 CCR5 (0.46) CCR5CKS1BSKP1SKP2HPGDS
SCHEMBL382763 0.82 ITGB3 (0.48) SFRP1HPGDSITGB3ITGA2BITGAV
SCHEMBL7664581 0.81 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL383469 0.80 CCR5 (0.42) CCR5SFRP1CKS1BSKP1SKP2
SCHEMBL7662225 0.79 ITGB3 (0.42) SFRP1ITGB3ITGA2BITGAVALDH1A1
SCHEMBL382702 0.79 ITGB3 (0.46) HPGDSITGB3ITGA2BITGAVCASR
SCHEMBL382545 0.79 ITGB3 (0.46) HPGDSITGB3ITGA2BITGAVCASR
SCHEMBL7664593 0.78 CCR5 (0.44) CCR5SFRP1CKS1BSKP1SKP2

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
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed