SCHEMBL8744982

SCHEMBL8744982

Cc1ccc(C)c(N2CCN(Cc3ccc(CC(=O)O)cc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
LMNA P02545 2/20 0.59
TSHR P16473 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
ATM Q13315 1/20 0.51
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL8744984 0.84 ATM (0.70) LMNAALDH1A1SMN1; SMN2ATMITGB3
SCHEMBL2650203 0.84 MEN1 (0.71) HTTLMNATSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL8745009 0.83 ATM (0.68) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18177866 0.79 MEN1 (0.60) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL5775668 0.77 MAPT (0.53) LMNATSHRMEN1KMT2AALDH1A1
SCHEMBL3436288 0.77 ALDH1A1 (0.46) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL15937763 0.74 DRD4 (0.62) HTTLMNAMEN1KMT2ATP53
SCHEMBL5304957 0.74 MC4R (0.62) LMNAALDH1A1SMN1; SMN2TP53ITGB3
SCHEMBL3436302 0.74 TSHR (0.66) HTTLMNATSHRMEN1KMT2A
SCHEMBL5772886 0.74 LMNA (0.69) HTTLMNATSHRMEN1KMT2A

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