SCHEMBL4628121

SCHEMBL4628121

CCCCCN1CCc2nc(N)sc2CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.63
DRD2 P14416 7/20 0.63
RAD52 P43351 2/20 0.60
RECQL P46063 1/20 0.60
ADRA2A P08913 3/20 0.57
MAPT P10636 2/20 0.57
ADRA2B P18089 2/20 0.57
ADRA2C P18825 2/20 0.57
HTR2A P28223 2/20 0.57
ADRA1A P35348 2/20 0.57
HRH1 P35367 2/20 0.57
HRH3 Q9Y5N1 2/20 0.57
LMNA P02545 1/20 0.57
OPRK1 P41145 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
GRM5 P41594 1/20 0.43
HRH2 P25021 2/20 0.41

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 SCHEMBL10657526 0.88 RAD52 (0.63) DRD3DRD2RAD52RECQLADRA2A
SCHEMBL563307 0.83 RAD52 (0.79) DRD3DRD2RAD52RECQLADRA2A
Hydrochloric Acid SCHEMBL10652670 0.81 RAD52 (0.77) DRD3DRD2RAD52RECQLADRA2A
SCHEMBL15075331 0.81 DRD2 (0.55) DRD3DRD2RAD52RECQLADRA2A
SCHEMBL15996427 0.79 DRD3 (0.56) DRD3DRD2RAD52RECQLADRA2A
Hydrochloric Acid SCHEMBL11395621 0.79 MAPT (0.62) DRD3DRD2RAD52RECQLADRA2A
SCHEMBL7292227 0.79 DRD2 (0.62) DRD3DRD2RAD52RECQLADRA2A
SCHEMBL5059578 0.78 DRD2 (0.55) DRD3DRD2RAD52RECQLADRA2A
SCHEMBL5059513 0.78 DRD2 (0.56) DRD3DRD2RAD52RECQLADRA2A
SCHEMBL7294939 0.78 DRD2 (0.61) DRD3DRD2RAD52ADRA2AMAPT

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
JP-63170315-A None JP disclosed
EP-1877374-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN CONVERTING ENZYME INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2008-01-16 EP disclosed
WO-2006102071-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN CONVERTING ENZYME INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-28 WO disclosed
JP-S63170315-A GROWTH HORMONE RELEASING AGENT OF 6-ARYL-2-AMINO- 5,6,7,8-TETRAHYDRO-4H-THIAZOLO(5,4-D)AZEPINE AS EFFECTIVE COMPONENT BOEHRINGER INGELHEIM KG 1988-07-14 JP disclosed