SCHEMBL7653366

SCHEMBL7653366

CCNC(CC(=O)O)NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 6/20 0.41
TSHR P16473 3/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPY2R P49146 2/20 0.40
MTTP P55157 1/20 0.40

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
SCHEMBL7655263 0.84 DPP4 (0.42) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7655229 0.84 ITGB3 (0.46) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7655207 0.82 ITGB3 (0.42) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7651398 0.82 SLC6A7 (0.43) MAPTLMNAKMT2AALDH1A1TSHR
SCHEMBL7652796 0.82 PKM (0.38) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7653324 0.81 ITGB3 (0.46) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7651451 0.76 L3MBTL1 (0.53) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7655239 0.75 KDM4E (0.44) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7655407 0.74 CYP1A2 (0.51) ALDH1A1TSHRHPGDNPC1NPSR1
SCHEMBL7658571 0.73 ITGB3 (0.45) LMNAKMT2AALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US claimed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP claimed
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed