SCHEMBL7651398

SCHEMBL7651398

O=C(O)CC(NC(=O)OCc1ccccc1)NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
CASP1 P29466 2/20 0.38
CASP3 P42574 1/20 0.38
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 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
SCHEMBL384053 0.87 ITGB3 (0.41) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL7651277 0.86 SLC6A7 (0.47) SLC6A7ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7655618 0.85 ITGB3 (0.42) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL7651363 0.84 ITGB3 (0.51) SLC6A7ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7653366 0.82 MAPT (0.42) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL7655229 0.81 ITGB3 (0.46) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL7655263 0.80 DPP4 (0.42) SLC6A7ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7662184 0.78 KDM4E (0.46) SLC6A7ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL382569 0.76 ITGB3 (0.43) CASP1CASP3KDM1AMAOAKDM1B
SCHEMBL7652796 0.76 PKM (0.38) ALDH1A1MAPTLMNASMN1; SMN2KMT2A

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