SCHEMBL19634040

SCHEMBL19634040

CCC(c1ccccc1Cl)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.55
DPP4 P27487 1/20 0.54
KCNQ2 O43526 1/20 0.47
RAB9A P51151 1/20 0.44
PARP1 P09874 1/20 0.42
TACR1 P25103 1/20 0.41
SLC6A2 P23975 6/20 0.40
SLC6A3 Q01959 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A4 P31645 5/20 0.40
KDM4E B2RXH2 1/20 0.39
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL9923328 0.87 MC4R (0.72) MC4RDPP4SLC6A2SLC6A3SLC6A4
SCHEMBL16509737 0.85 DPP4 (0.75) MC4RDPP4SLC6A2SLC6A3CYP1A2
SCHEMBL3470666 0.84 DPP4 (0.73) MC4RDPP4KCNQ2RAB9APARP1
SCHEMBL8278787 0.84 DPP4 (0.73) MC4RDPP4KCNQ2RAB9APARP1
SCHEMBL2594475 0.83 CXCL8 (0.47) MC4RDPP4KCNQ2RAB9APARP1
SCHEMBL14451970 0.82 DPP4 (0.50) MC4RDPP4KCNQ2RAB9APARP1
SCHEMBL8276878 0.82 DPP4 (0.50) MC4RDPP4KCNQ2RAB9APARP1
SCHEMBL14438312 0.81 ADRB2 (0.56) MC4RDPP4KCNQ2RAB9APARP1
SCHEMBL14438301 0.81 ADRB2 (0.56) MC4RDPP4KCNQ2RAB9APARP1
SCHEMBL14438308 0.81 ADRB2 (0.56) MC4RDPP4KCNQ2RAB9APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017201468-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-11-23 WO disclosed