SCHEMBL13151125

SCHEMBL13151125

N#Cc1ccc2c(c1Cl)CCN2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.61
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
AR P10275 6/20 0.34
TRPV4 Q9HBA0 1/20 0.32
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL8526899 0.76 NOTUM (1.00) NOTUMHTR2AHTR2CHTR2BDRD2
SCHEMBL31504075 0.76 NOTUM (1.00) NOTUMHTR2AHTR2CHTR2BDRD2
SCHEMBL31504074 0.76 NOTUM (1.00) NOTUMHTR2AHTR2CHTR2BDRD2
SCHEMBL24651170 0.73 NOTUM (0.66) NOTUMHTR2AHTR2CHTR2BDRD2
SCHEMBL8526283 0.73 NOTUM (0.66) NOTUMHTR2AHTR2CHTR2BDRD2
SCHEMBL1575886 0.73 NOTUM (0.66) NOTUMHTR2AHTR2CHTR2BDRD2
SCHEMBL326944 0.73 NOTUM (0.41) NOTUMHTR2AHTR2CHTR2BPARP1
Hydrochloric Acid SCHEMBL15311720 0.72 NOTUM (0.40) NOTUMHTR2AHTR2CHTR2BPARP1
SCHEMBL5754293 0.70 PNMT (0.55) NOTUMARPARP1
SCHEMBL10733139 0.70 AR (0.50) HTR2AHTR2CHTR2BARTRPV4

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-2010118287-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-10-14 WO disclosed