SCHEMBL15345494

SCHEMBL15345494

Clc1cccc(N2CCc3ccccc32)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.50
DRD2 P14416 4/20 0.50
GSK3B P49841 3/20 0.49
MAPT P10636 1/20 0.48
ADRB1 P08588 1/20 0.46
P2RX7 Q99572 3/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ROCK1 Q13464 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL23864705 0.90 DRD2 (0.47) DRD3DRD2MAPTADRB1P2RX7
SCHEMBL6081885 0.87 MAPT (0.55) GSK3BMAPTADRB1LMNATP53
SCHEMBL29652020 0.84 GSK3B (0.50) GSK3BMAPTLMNATP53MAPK1
SCHEMBL8938754 0.73 LMNA (0.53) LMNATP53MAPK1ADRA2CROCK1
SCHEMBL25026229 0.72 ALDH1A1 (0.55) ADRB1LMNATP53MAPK1ROCK1
Hydrochloric Acid SCHEMBL10547839 0.72 MAPK1 (0.51) MAPTLMNATP53MAPK1ADRA2C
SCHEMBL8934707 0.71 SMN1; SMN2 (0.49) MAPTADRB1LMNATP53MAPK1
SCHEMBL5716298 0.71 ALDH1A1 (0.50) MAPTLMNATP53MAPK1ROCK1
SCHEMBL5923921 0.71 ALDH1A1 (0.49) P2RX7LMNATP53MAPK1ROCK1
SCHEMBL8845412 0.71 SPR (0.41) GSK3BMAPTLMNATP53MAPK1

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-2656857-A1 Oral liquid formulation The Jordanian Pharmaceutical Manufacturing Co. (JO) 2013-10-30 EP disclosed