SCHEMBL11538737

SCHEMBL11538737

OC(COc1cccc2[nH]cnc12)CN1CCC(COc2ccccc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
USP2 O75604 1/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.49
ADRB2 P07550 5/20 0.48
ADRB1 P08588 5/20 0.48
ADRB3 P13945 5/20 0.48
HTR1A P08908 1/20 0.47
DRD4 P21917 4/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
DRD2 P14416 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
OPRL1 P41146 2/20 0.44
HTR3A P46098 1/20 0.44
HTR4 Q13639 1/20 0.44

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
SCHEMBL11499199 0.89 DRD4 (0.53) ADRB2ADRB1ADRB3DRD4DRD2
SCHEMBL11538745 0.85 MEN1 (0.56) MEN1KMT2AUSP2HTTATM
SCHEMBL11538452 0.79 TP53 (0.37) HTTADRB2ADRB1ADRB3MAPT
Hydrochloric Acid SCHEMBL11542328 0.79 KMT2A (0.61) MEN1KMT2AUSP2HTTATM
SCHEMBL11538407 0.76 KMT2A (0.51) MEN1KMT2AATMDRD4DRD2
Hydrochloric Acid SCHEMBL11538844 0.76 KMT2A (0.52) MEN1KMT2ADRD4DRD2
SCHEMBL11574132 0.75 ADRB1 (0.49) MEN1KMT2AUSP2ADRB2ADRB1
SCHEMBL11537149 0.75 DRD4 (0.52) ADRB2ADRB1ADRB3DRD4DRD2
Hydrochloric Acid SCHEMBL11538648 0.74 L3MBTL1 (0.51) KMT2AADRB2ADRB1ADRB3DRD4
SCHEMBL11537076 0.74 DRD4 (0.53) ADRB2ADRB1ADRB3DRD4DRD2

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-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 US disclosed