SCHEMBL8744992

SCHEMBL8744992

COC(=O)Cc1ccc(CN2CCN(C(c3ccccc3)c3ccccn3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.53
HDAC1 Q13547 3/20 0.52
HDAC4 P56524 2/20 0.52
KCNH2 Q12809 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
OPRD1 P41143 2/20 0.51
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
OPRK1 P41145 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
LMNA P02545 2/20 0.45
IDH1 O75874 1/20 0.45
NR1I2 O75469 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CNR1 P21554 1/20 0.43
HRH1 P35367 1/20 0.43
PDE4D Q08499 1/20 0.43
GHSR Q92847 1/20 0.43

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
SCHEMBL8745034 0.88 ATM (0.58) ATMHDAC1HDAC4KCNH2MEN1
SCHEMBL8690003 0.88 ATM (0.67) ATMHDAC1HDAC4KCNH2MEN1
Hydrochloric Acid SCHEMBL8744980 0.87 ATM (0.57) ATMHDAC1HDAC4KCNH2MEN1
SCHEMBL8744968 0.83 HRH1 (0.64) ATMHDAC1HDAC4KCNH2MEN1
SCHEMBL8692759 0.76 KMT2A (0.59) MEN1KMT2AOPRD1FNTAFNTB
Hydrochloric Acid SCHEMBL8693837 0.75 KMT2A (0.61) MEN1KMT2AOPRD1FNTAFNTB
SCHEMBL8691241 0.75 ATM (0.76) ATMHDAC1HDAC4KCNH2MEN1
SCHEMBL7181030 0.74 LMNA (0.55) ATMKCNH2OPRD1FNTAFNTB
SCHEMBL7952124 0.73 OPRD1 (0.54) MEN1KMT2AOPRD1OPRK1OPRM1
SCHEMBL7364364 0.72 DRD4 (0.59) HDAC1HDAC4MEN1KMT2ALMNA

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