SCHEMBL8744977

SCHEMBL8744977

COC(=O)Cc1ccc(CN2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HTR7 P34969 2/20 0.56
BCL2 P10415 6/20 0.53
BAK1 Q16611 2/20 0.53
BCL2L1 Q07817 4/20 0.49
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
MLNR O43193 1/20 0.46
FAAH O00519 1/20 0.46
OPRL1 P41146 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL8744976 0.86 KDM4E (0.55) KDM4EALDH1A1HTR7BCL2BAK1
SCHEMBL9180729 0.82 HTR7 (0.55) KDM4EALDH1A1HTR7BCL2BAK1
SCHEMBL5182319 0.81 HTR7 (0.53) KDM4EALDH1A1HTR7BCL2BAK1
SCHEMBL29137691 0.81 BCL2 (0.57) KDM4EALDH1A1HTR7BCL2BAK1
SCHEMBL588394 0.80 SIGMAR1 (0.67) KDM4EALDH1A1HTR7BCL2BAK1
Hydrochloric Acid SCHEMBL587708 0.79 SIGMAR1 (0.65) KDM4EALDH1A1HTR7BCL2BAK1
SCHEMBL1138153 0.78 HTR7 (0.50) KDM4EALDH1A1HTR7BCL2BAK1
SCHEMBL1138092 0.78 HTR7 (0.54) KDM4EALDH1A1HTR7BCL2BAK1
Hydrochloric Acid SCHEMBL1138333 0.77 HTR7 (0.49) KDM4EALDH1A1HTR7BCL2BAK1
SCHEMBL2190477 0.77 LMNA (0.58) KDM4EALDH1A1HTR7BCL2BAK1

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-0753515-A2 Benzylpiperazine derivatives as antiallergic and anti-inflammatory agents Senju Pharmaceutical Co., Ltd. (JP) 1997-01-15 EP claimed
EP-0753515-A2 Benzylpiperazine derivatives as antiallergic and anti-inflammatory agents Senju Pharmaceutical Co., Ltd. (JP) 1997-01-15 EP disclosed