SCHEMBL8538728

SCHEMBL8538728

CSCc1c(Cl)cccc1-c1ncc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.51
TAAR1 Q96RJ0 3/20 0.48
F2RL1 P55085 3/20 0.45
ADRA1A P35348 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
NISCH Q9Y2I1 2/20 0.37
MTOR P42345 1/20 0.37
ADK P55263 1/20 0.37
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 2/20 0.33
HTR1A P08908 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8539285 0.85 TAAR1 (0.50) MC4RTAAR1F2RL1ADRA1ACSNK1A1
SCHEMBL8539281 0.83 MC4R (0.38) MC4RTAAR1F2RL1ADRA1ACSNK1A1
SCHEMBL8536051 0.83 CSNK1A1 (0.41) MC4RTAAR1F2RL1ADRA1ACSNK1A1
SCHEMBL8538104 0.78 ALDH1A1 (0.39) MC4RCSNK1A1TYRO3DYRK1BCYP2D6
SCHEMBL8537087 0.76 CSNK1A1 (0.45) MC4RTAAR1ADRA1AADRA2AADRA2C
SCHEMBL893307 0.75 ADRA1A (0.47) MC4RTAAR1F2RL1ADRA1AADRA2A
SCHEMBL1458606 0.74 NISCH (0.53) MC4RTAAR1ADRA1AADRA2AADRA2C
Hydrochloric Acid SCHEMBL28012248 0.73 MC4R (0.45) MC4RTAAR1F2RL1ADRA1AADRA2A
SCHEMBL8541400 0.72 MC4R (0.37) MC4RTAAR1CSNK1A1TYRO3DYRK1B
SCHEMBL2053341 0.72 ADRA1A (0.45) MC4RTAAR1F2RL1ADRA1AADRA2A

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-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed