SCHEMBL15043844

SCHEMBL15043844

Nc1nc2c(s1)CCN(I)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.57
DRD2 P14416 7/20 0.57
MAPT P10636 3/20 0.57
ADRA2A P08913 3/20 0.57
LMNA P02545 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
OPRK1 P41145 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
RAD52 P43351 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
RECQL P46063 1/20 0.51
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL17591539 0.82 DRD3 (0.58) DRD3DRD2MAPTADRA2ALMNA
SCHEMBL3312231 0.81 DRD2 (0.57) DRD3DRD2MAPTADRA2ALMNA
SCHEMBL14154264 0.81 DRD3 (0.57) DRD3DRD2MAPTADRA2ALMNA
SCHEMBL563307 0.77 RAD52 (0.79) DRD3DRD2MAPTADRA2ALMNA
SCHEMBL21146544 0.77 DRD3 (0.53) DRD3DRD2MAPTADRA2ALMNA
SCHEMBL24061285 0.77 DRD3 (0.56) DRD3DRD2MAPTADRA2ALMNA
SCHEMBL9574602 0.76 RAD52 (0.50) DRD3DRD2MAPTADRA2ALMNA
SCHEMBL114205 0.76 RAD52 (0.63) DRD3DRD2MAPTADRA2ALMNA
Hydrochloric Acid SCHEMBL10652670 0.75 RAD52 (0.77) DRD3DRD2MAPTADRA2ALMNA
Bromide SCHEMBL1253502 0.74 RAD52 (0.61) DRD3DRD2MAPTADRA2ALMNA

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
WO-2013087807-A1 4-ARYL IMIDAZOLE DERIVATIVES AS MGLU5 POSITIVE ALLESTERIC MODIULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 WO disclosed