SCHEMBL7654498

SCHEMBL7654498

NC(CC(=O)O)NC(=O)c1ccc(N2CCN(C3=NCCCN3)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGAV P06756 6/20 0.44
ITGA2B P08514 5/20 0.44
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SCN9A Q15858 1/20 0.37
PARP1 P09874 3/20 0.37
TNK1 Q13470 3/20 0.37
TNK2 Q07912 2/20 0.36
LMNA P02545 1/20 0.35
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
HTT P42858 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
SCHEMBL7655207 0.86 ITGB3 (0.42) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7658323 0.85 JAK2 (0.41) ITGB3ITGAVITGA2BSCN9A
SCHEMBL7654471 0.84 ITGB3 (0.52) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7649751 0.83 ITGB3 (0.56) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7655618 0.81 ITGB3 (0.42) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7655263 0.81 DPP4 (0.42) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL7658791 0.80 ITGB3 (0.44) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7655184 0.77 ITGB3 (0.55) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL6798625 0.75 ITGB3 (0.62) ITGB3ITGAVITGA2BHPGDPARP1
SCHEMBL382678 0.74 ITGB3 (0.44) ITGB3ITGAVITGA2BMAPTALDH1A1

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