SCHEMBL7651404

SCHEMBL7651404

O=C(O)c1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.65
TP53 P04637 2/20 0.64
MAPT P10636 2/20 0.64
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
HTR3A P46098 1/20 0.56
MGLL Q99685 5/20 0.56
EGLN1 Q9GZT9 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
RAB9A P51151 1/20 0.53
TRPC3 Q13507 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
AURKA O14965 2/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL7652040 0.82 MAPT (0.57) HTR2BTP53MAPTBCHEACHE
SCHEMBL383213 0.82 DRD4 (0.77) KDM4EALDH1A1HPGD
SCHEMBL383241 0.77 MAPT (0.51) HTR2BTP53MAPTRAB9AKDM4E
SCHEMBL7651229 0.75 TP53 (0.46) HTR2BTP53MAPTBCHEACHE
SCHEMBL2674037 0.75 BCHE (0.90) HTR2BTP53MAPTBCHEACHE
SCHEMBL2676103 0.75 BCHE (0.96) HTR2BTP53MAPTBCHEACHE
SCHEMBL23610369 0.74 KDM4E (0.71) TP53MAPTHDAC6RAB9AKDM4E
SCHEMBL17737082 0.74 KDM4E (0.71) TP53MAPTHDAC6RAB9AKDM4E
SCHEMBL2674838 0.74 TP53 (1.00) TP53MAPTBCHEACHEHTR3A
SCHEMBL5309716 0.74 BCHE (0.71) HTR2BTP53MAPTBCHEACHE

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-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