SCHEMBL11071835

SCHEMBL11071835

COc1ccc(N2CCN(n3cnn(C)c3=O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
DRD2 P14416 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 4/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 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
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 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
SCHEMBL11070382 0.83 ALDH1A1 (0.47) MAPTALDH1A1GAAKMT2AL3MBTL1
SCHEMBL11069599 0.83 MAPT (0.64) MAPTALDH1A1GAAKMT2ARAB9A
SCHEMBL10436489 0.82 SMO (0.50) MAPTALDH1A1GAAKMT2ARAB9A
SCHEMBL11070569 0.76 HSD17B10 (0.47) MAPTALDH1A1GAAKMT2ARAB9A
SCHEMBL11066507 0.76 HTR3E (0.48) MAPTALDH1A1GAAKMT2ARAB9A
SCHEMBL28599511 0.73 HTR3E (0.73) MAPTALDH1A1GAAKMT2ARAB9A
SCHEMBL29656856 0.73 HTR3E (0.73) MAPTALDH1A1GAAKMT2ARAB9A
SCHEMBL14280089 0.73 MAPT (0.51) MAPTALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL11073079 0.72 BRD9 (0.56) MAPTALDH1A1GAAKMT2ARAB9A
SCHEMBL11175328 0.71 MAPT (0.48) MAPTALDH1A1GAAKMT2ARAB9A

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
US-4287195-A USEFUL AS BACTERICIDES AND FUNGICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1981-09-01 US disclosed
EP-0007696-A1 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) 1980-02-06 EP disclosed