SCHEMBL7315449

SCHEMBL7315449

Nc1nc2c(s1)CC(N1CCCC1)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
DRD3 P35462 5/20 0.46
DRD2 P14416 5/20 0.46
HRH2 P25021 2/20 0.46
ADRA2A P08913 2/20 0.46
DRD4 P21917 2/20 0.46
ADRB2 P07550 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
HTR1B P28222 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
SCHEMBL6032898 0.98 APOBEC3A (0.49) LMNAPOLBGAAMAPTTSHR
Hydrochloric Acid SCHEMBL7325859 0.98 ADRA2A (0.47) LMNAPOLBGAAMAPTTSHR
Hydrochloric Acid SCHEMBL7315340 0.97 APOBEC3A (0.47) LMNAPOLBGAAMAPTTSHR
Bromide SCHEMBL2710835 0.97 APOBEC3A (0.47) LMNAPOLBGAAMAPTTSHR
Hydrochloric Acid SCHEMBL7325267 0.97 APOBEC3A (0.47) LMNAPOLBGAAMAPTTSHR
Bromide SCHEMBL13387488 0.97 APOBEC3A (0.47) LMNAPOLBGAAMAPTTSHR
SCHEMBL322162 0.91 LMNA (0.48) LMNAPOLBGAAMAPTTSHR
SCHEMBL2712761 0.88 LMNA (0.46) LMNAPOLBGAAMAPTTSHR
SCHEMBL2713357 0.87 LMNA (0.45) LMNAPOLBGAAMAPTTSHR
SCHEMBL320824 0.87 DRD3 (0.46) LMNAPOLBGAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4731374-A PARKINSON*S DISEASE DR. KARL THOMAE GMBH (DE) 1988-03-15 US claimed
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