SCHEMBL8538260

SCHEMBL8538260

Cc1c2c(cc[n+]1[O-])CCCC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
CES1 P23141 2/20 0.34
ALDH1A1 P00352 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 2/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
CCR5 P51681 1/20 0.32
TSHR P16473 1/20 0.31
DRD4 P21917 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
NR4A1 P22736 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL25630937 0.78 BCL2L1 (0.36) BCL2L1BADCES1ALDH1A1NOS3
SCHEMBL30496031 0.76 BCL2L1 (0.35) BCL2L1BADALDH1A1NOS3NOS1
SCHEMBL26083963 0.76 BCL2L1 (0.35) BCL2L1BADCES1ALDH1A1NOS3
SCHEMBL10157474 0.76 BCL2L1 (0.35) BCL2L1BADALDH1A1NOS3NOS1
SCHEMBL13499974 0.73 BCL2L1 (0.32) BCL2L1BADCES1ALDH1A1NOS3
SCHEMBL25672212 0.73 LMNA (0.37) BCL2L1BADCES1ALDH1A1NOS3
SCHEMBL9449696 0.69 CCR5 (0.30) CCR5
SCHEMBL667046 0.64 CCR5 (0.33) NOS3NOS2CCR5
SCHEMBL1278375 0.64 BCL2L1 (0.52) BCL2L1BADCES1NOS3NOS1
SCHEMBL3803913 0.64 DRD4 (0.32) DRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed