SCHEMBL8629425

SCHEMBL8629425

Clc1ccc(N2CCN(Cn3ncc4ccccc43)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.56
DRD3 P35462 12/20 0.56
DRD2 P14416 10/20 0.53
HTR1A P08908 2/20 0.53
DRD1 P21728 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
GRM2 Q14416 1/20 0.50
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
HTR2C P28335 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.46

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
SCHEMBL8633681 0.89 RECQL (0.50) DRD4DRD3DRD2HTR1AADRA1D
SCHEMBL8629124 0.87 DRD4 (0.48) DRD4DRD3DRD2HTR1AADRA1D
SCHEMBL8631570 0.87 MAPT (0.47) DRD4DRD3DRD2HTR1ALMNA
SCHEMBL8630582 0.84 MAPT (0.54) DRD4DRD2HTR1ALMNASMN1; SMN2
SCHEMBL8630532 0.84 DRD2 (0.46) DRD4DRD3DRD2HTR1APOLB
SCHEMBL8627881 0.83 MAPT (0.50) DRD4DRD3DRD2HTR1ADRD1
SCHEMBL8633899 0.82 KMT2A (0.50) ADRA1DADRA1AADRA1BSMN1; SMN2POLB
SCHEMBL8631540 0.79 KCNH2 (0.51) DRD4DRD3DRD2HTR1APOLB
SCHEMBL8627836 0.78 DRD4 (0.45) DRD4DRD3DRD2HTR1ALMNA
SCHEMBL29520874 0.78 RECQL (0.53) SMN1; SMN2POLBRECQL

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
US-5780475-A Antipsychotic indazole derivatives MERCK, SHARP & DOHME LIMITED (GB) 1998-07-14 US disclosed