SCHEMBL11072138

SCHEMBL11072138

CCCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
RAB9A P51151 3/20 0.61
DRD2 P14416 1/20 0.56
BRD9 Q9H8M2 1/20 0.51
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR7 P34969 1/20 0.47
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DCTPP1 Q9H773 1/20 0.46
MAPT P10636 1/20 0.46
BCHE P06276 1/20 0.45
CHRNE Q04844 1/20 0.45
POLB P06746 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
SCHEMBL11075143 0.91 L3MBTL1 (0.65) L3MBTL1RAB9ADRD2BRD9GAA
SCHEMBL11069372 0.85 MAPT (0.49) L3MBTL1RAB9ABRD9GAALMNA
SCHEMBL11073079 0.84 BRD9 (0.56) L3MBTL1RAB9ADRD2BRD9GAA
SCHEMBL9457409 0.78 KMT2A (0.66) L3MBTL1RAB9ALMNAALDH1A1CYP2C19
SCHEMBL9386389 0.78 DRD2 (0.56) L3MBTL1DRD2GAALMNAALDH1A1
SCHEMBL9385608 0.78 DRD2 (0.58) RAB9ADRD2GAALMNAALDH1A1
SCHEMBL11069441 0.77 MAPT (0.64) L3MBTL1RAB9ADRD2GAALMNA
SCHEMBL11070469 0.76 BRD9 (0.54) L3MBTL1BRD9GAALMNAALDH1A1
SCHEMBL5915124 0.72 DRD2 (1.00) DRD2HTR7MEN1KMT2A
SCHEMBL11070569 0.72 HSD17B10 (0.47) L3MBTL1RAB9ADRD2GAALMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4490530-A ANTIFUNGAL, ANTIBACTERIAL JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-25 US disclosed
EP-0006711-B1 HETEROCYCLIC DERIVATIVES OF (4-PHENYLPIPERAZIN-1-YL-ARYLOXYMETHYL-1,3-DIOXOLAN-2-YL)-METHYL-1H-IMIDAZOLES AND 1H-1,2,4-TRIAZOLES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-10-26 EP disclosed
US-4368200-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-11 US disclosed
US-4267179-A AS FUNGICIDES AND BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1981-05-12 US disclosed
EP-0006711-A1 Heterocyclic derivatives of (4-phenylpiperazin-1-yl-aryloxymethyl-1,3-dioxolan-2-yl)-methyl-1H-imidazoles and 1H-1,2,4-triazoles, processes for preparing them and compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 EP disclosed