SCHEMBL7464729

SCHEMBL7464729

O=C(CCNC(=O)c1ccc(N2CCC[C@H]2CNc2ncccn2)cc1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
ITGAV P06756 2/20 0.35
FFAR1 O14842 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 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
SCHEMBL27558585 0.87 KDM4E (0.38) CCR2L3MBTL1TSHRKDM4EMEN1
SCHEMBL7470398 0.81 ITGB3 (0.51) CCR2TSHRKDM4EMEN1KMT2A
SCHEMBL7048411 0.81 ITGB3 (0.51) CCR2TSHRKDM4EMEN1KMT2A
SCHEMBL7461670 0.81 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL382763 0.80 ITGB3 (0.48) KDM4EHTTITGB3ITGA2BITGAV
SCHEMBL382545 0.79 ITGB3 (0.46) KDM4EHTTITGB3ITGA2BITGAV
SCHEMBL382702 0.79 ITGB3 (0.46) KDM4EHTTITGB3ITGA2BITGAV
SCHEMBL7468819 0.79 KAT6A (0.43) L3MBTL1SMN1; SMN2ITGB3ITGA2BITGAV
SCHEMBL7462239 0.79 ITGB3 (0.49) CCR2L3MBTL1TSHRKDM4EMEN1
SCHEMBL7470189 0.79 GRIN2B (0.36) L3MBTL1KDM4ERAB9AHTTALDH1A1

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-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP claimed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed