SCHEMBL7098972

SCHEMBL7098972

Clc1cccc(-c2ccccc2CN2CCNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.59
CHRM1 P11229 6/20 0.55
CHRM3 P20309 5/20 0.55
LMNA P02545 1/20 0.49
SIGMAR1 Q99720 3/20 0.47
MLNR O43193 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
CXCR4 P61073 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
CYP2D6 P10635 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL376781 0.84 HTR7 (0.56) HTR7LMNASIGMAR1MLNRALDH1A1
SCHEMBL2472212 0.84 HTR7 (0.64) HTR7LMNASIGMAR1MLNRCXCR4
SCHEMBL30616744 0.84 HTR7 (0.64) HTR7LMNASIGMAR1MLNRCXCR4
SCHEMBL7097670 0.83 LMNA (0.49) HTR7CHRM1LMNASIGMAR1MLNR
SCHEMBL30963898 0.83 LMNA (0.49) HTR7CHRM3LMNASIGMAR1MLNR
SCHEMBL7101303 0.83 LMNA (0.49) HTR7CHRM3LMNASIGMAR1MLNR
Hydrochloric Acid SCHEMBL30688262 0.83 HTR7 (0.55) HTR7LMNASIGMAR1MLNRALDH1A1
Hydrochloric Acid SCHEMBL5689236 0.83 HTR7 (0.55) HTR7LMNASIGMAR1MLNRALDH1A1
SCHEMBL7100470 0.80 HTR7 (0.63) HTR7CHRM3LMNASIGMAR1MLNR
SCHEMBL30790592 0.80 CXCR4 (0.56) HTR7CHRM1LMNASIGMAR1MLNR

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
EP-1020443-B1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF AZWELL INC (JP) 2003-09-10 EP disclosed
US-6172228-B1 Process for producing piperazinesulfonamide derivatives and salts thereof AZWELL INC. (JP) 2001-01-09 US disclosed
EP-1020443-A1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF Azwell Inc. (JP) 2000-07-19 EP disclosed