SCHEMBL11538745

SCHEMBL11538745

OC(COc1cccc2nc[nH]c12)CN1CCC(COc2ccccc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
USP2 O75604 1/20 0.56
ATM Q13315 1/20 0.49
DRD4 P21917 6/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
DRD2 P14416 1/20 0.46
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
HTR1A P08908 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
METAP2 P50579 1/20 0.43

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
SCHEMBL11537076 0.89 DRD4 (0.53) DRD4DRD2KDM4EADRB2ADRB1
SCHEMBL11538737 0.85 MEN1 (0.56) MEN1KMT2AHTTUSP2ATM
SCHEMBL11538455 0.79 TP53 (0.37) MEN1KMT2AHTTUSP2DRD4
Hydrochloric Acid SCHEMBL11542328 0.79 KMT2A (0.61) MEN1KMT2AHTTUSP2ATM
SCHEMBL11538412 0.76 KMT2A (0.51) MEN1KMT2AATMDRD4DRD2
Hydrochloric Acid SCHEMBL11538853 0.76 KMT2A (0.52) MEN1KMT2AATMDRD4DRD2
SCHEMBL11499199 0.74 DRD4 (0.53) DRD4DRD2KDM4EADRB2ADRB1
SCHEMBL11377069 0.73 ADRB3 (0.53) MEN1KMT2ADRD4DRD2ADRB2
SCHEMBL11541253 0.73 DRD4 (0.38) DRD4MAPTABCB1DCPS
Hydrochloric Acid SCHEMBL11541088 0.72 P2RY1 (0.38) DRD4MAPTABCB1DCPS

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