SCHEMBL6017700

SCHEMBL6017700

NC(=O)CCc1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.40
ADRA2A P08913 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MAOA P21397 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL6463083 0.81 ADRA2A (0.43) ADRA2ACYP3A4MAPK1KMT2AMEN1
SCHEMBL2852938 0.81 TAAR1 (0.56) CAPN1ADRA2ACYP3A4MAPK1KMT2A
Hydrochloric Acid SCHEMBL6927140 0.79 ADRA2A (0.44) ADRA2ACYP3A4MAPK1KMT2AMEN1
SCHEMBL6953644 0.73 TAAR1 (0.62) CYP3A4HTR2ATAAR1
SCHEMBL3414586 0.73 CYP3A4 (0.39) ADRA2ACYP3A4MAPK1KMT2AMEN1
SCHEMBL3393678 0.72 PYGL (0.57) CAPN1TAAR1
SCHEMBL31420517 0.72 NOS2 (0.39) CAPN1ADRA2ACYP3A4MAPK1KMT2A
SCHEMBL30572274 0.71 CAPN1 (0.44) CAPN1CYP3A4LMNAHSD17B10SLC22A12
SCHEMBL16241904 0.71 GPR17 (0.36) KMT2AMAPTAKR1B1FFAR4TAAR1
SCHEMBL1405086 0.71 CYP3A4 (0.43) CYP3A4MAPK1LMNACYP2C9MAOA

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-1708992-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-10-11 EP disclosed
WO-2005080324-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed