SCHEMBL7316677

SCHEMBL7316677

CN(Cc1ccc(Cl)cc1)C1CCc2nc(N)sc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.53
DRD3 P35462 7/20 0.53
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD4 P21917 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42

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
Hydrochloric Acid SCHEMBL7314833 0.85 DRD2 (0.59) DRD2DRD3
Hydrochloric Acid SCHEMBL7313064 0.81 DRD2 (0.50) DRD2DRD3
SCHEMBL15076626 0.76 DRD3 (0.78) DRD2DRD3ADRB2HTR1AADRA2A
SCHEMBL8198066 0.76 DRD3 (0.78) DRD2DRD3ADRB2HTR1AADRA2A
SCHEMBL11885228 0.76 DRD3 (0.78) DRD2DRD3ADRB2HTR1AADRA2A
SCHEMBL7322498 0.75 DRD3 (0.67) DRD2DRD3LMNAPOLBGAA
SCHEMBL6032194 0.75 DRD3 (0.67) DRD2DRD3LMNAPOLBGAA
Hydrochloric Acid SCHEMBL7318892 0.74 DRD3 (0.65) DRD2DRD3LMNAPOLBGAA
SCHEMBL7314306 0.74 SCN3A (0.61) DRD2DRD3LMNAPOLBGAA
SCHEMBL31214104 0.72 LMNA (0.74) DRD2DRD3LMNAPOLBGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886812-A REGULATING DOPAMINE CONCENTRATION; PARKINSON DISEASE, HYPOTENSIVE AGENT, SCHIZOPHRENIA DR. KARL THOMAE GMBH (DE) 1989-12-12 US disclosed
US-4843086-A HYPOTENSIVE AGENTS, SCHIZOPHRENIA, PARKINSON'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1989-06-27 US disclosed
US-4731374-A PARKINSON*S DISEASE DR. KARL THOMAE GMBH (DE) 1988-03-15 US disclosed
EP-0186087-A1 Tetrahydro-benzothiazoles, their production and their use as intermediates or drugs Dr. Karl Thomae GmbH (DE) 1986-07-02 EP disclosed