SCHEMBL11070569

SCHEMBL11070569

COc1ccc(N2CCN(n3c(C)nn(C)c3=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
MAPT P10636 6/20 0.47
KMT2A Q03164 2/20 0.47
DRD2 P14416 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
GAA P10253 4/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 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
SCHEMBL11073079 0.83 BRD9 (0.56) HSD17B10MAPTKMT2ADRD2RAB9A
SCHEMBL11073330 0.83 GAA (0.43) MAPTKMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL11070743 0.77 ALDH1A1 (0.49) HSD17B10MAPTKMT2ADRD2RAB9A
SCHEMBL11071835 0.76 MAPT (0.49) HSD17B10MAPTKMT2ADRD2RAB9A
SCHEMBL28599511 0.73 HTR3E (0.73) HSD17B10MAPTKMT2ADRD2RAB9A
SCHEMBL29656856 0.73 HTR3E (0.73) HSD17B10MAPTKMT2ADRD2RAB9A
SCHEMBL11069599 0.72 MAPT (0.64) HSD17B10MAPTKMT2ADRD2RAB9A
SCHEMBL11075143 0.72 L3MBTL1 (0.65) MAPTKMT2ADRD2RAB9ALMNA
SCHEMBL9386389 0.72 DRD2 (0.56) HSD17B10MAPTKMT2ADRD2LMNA
SCHEMBL11072138 0.72 L3MBTL1 (0.61) MAPTKMT2ADRD2RAB9ALMNA

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
US-4456605-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1984-06-26 US disclosed
US-4402957-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-09-06 US disclosed
EP-0007696-B1 HETEROCYCLIC DERIVATIVES OF (4-(PIPERAZIN-1-YL-PHENYLOXYMETHYL)-1.3.-DIOXOLAN-2-YLMETHYL)-1H-IMIDAZOLES AND -1H-1.2.4-TRIAZOLES, THEIR PREPARATION AND USE AS FUNGICIDES AND BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1982-10-27 EP disclosed
US-4287195-A USEFUL AS BACTERICIDES AND FUNGICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1981-09-01 US disclosed