SCHEMBL8744976

SCHEMBL8744976

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SIGMAR1 Q99720 3/20 0.54
HTR7 P34969 2/20 0.52
BCL2 P10415 4/20 0.52
BAK1 Q16611 2/20 0.52
ADORA1 P30542 1/20 0.49
FAAH O00519 1/20 0.49
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BCL2L1 Q07817 2/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
DRD4 P21917 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL29137691 0.88 BCL2 (0.57) KDM4EALDH1A1SIGMAR1HTR7BCL2
SCHEMBL588394 0.87 SIGMAR1 (0.67) KDM4EALDH1A1SIGMAR1HTR7BCL2
SCHEMBL8744977 0.86 KDM4E (0.57) KDM4EALDH1A1SIGMAR1HTR7BCL2
Hydrochloric Acid SCHEMBL587708 0.85 SIGMAR1 (0.65) KDM4EALDH1A1SIGMAR1HTR7BCL2
SCHEMBL8745021 0.84 SIGMAR1 (0.65) KDM4EALDH1A1SIGMAR1FAAHSMN1; SMN2
SCHEMBL2116073 0.84 HTR7 (0.53) KDM4EALDH1A1HTR7BCL2BAK1
SCHEMBL1958329 0.83 HTR7 (0.55) KDM4EALDH1A1SIGMAR1HTR7BCL2
SCHEMBL9178963 0.81 CACNA1G (0.53) HTR7BCL2BAK1BCL2L1FFAR1
SCHEMBL9184331 0.80 HTR7 (0.53) KDM4EALDH1A1HTR7BCL2BAK1
SCHEMBL1138135 0.80 HTR7 (0.60) KDM4EALDH1A1SIGMAR1HTR7BCL2

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