SCHEMBL10446609

SCHEMBL10446609

NC1(O)CCc2ccccc2C1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
HTR2A P28223 3/20 0.39
RET P07949 1/20 0.39
IDO1 P14902 4/20 0.37
ACP3 P15309 1/20 0.37
RCOR1 Q9UKL0 1/20 0.35
HTR6 P50406 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL11251250 0.80 HTR2A (0.43) KDM1AMAOBHTR2ARETIDO1
Hydrochloric Acid SCHEMBL9296485 0.79 HTR2A (0.45) KDM1AMAOBHTR2ARETIDO1
SCHEMBL16594106 0.79 KDM1A (0.40) KDM1AMAOBHTR2ARETIDO1
SCHEMBL9527857 0.67 ALDH1A1 (0.36) HTR2AACP3DRD2HTR2CHTR2B
SCHEMBL440138 0.67 HTR2A (0.54) HTR2ARETIDO1ACP3
SCHEMBL29793145 0.67 HTR2A (0.54) HTR2ARETIDO1ACP3
SCHEMBL9177026 0.67 HTR2A (0.41) KDM1AMAOBHTR2ARETIDO1
SCHEMBL30094172 0.66 IDO1 (0.50) HTR2ARETIDO1HTR6SIGMAR1
SCHEMBL1117278 0.66 IDO1 (0.50) HTR2ARETIDO1HTR6SIGMAR1
SCHEMBL788818 0.63 KDM1A (0.50) KDM1AMAOBHTR2A

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
EP-0381902-A1 Tetralin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-16 EP disclosed