SCHEMBL11073079

SCHEMBL11073079

COc1ccc(N2CCN(c3ccc(-n4c(C)nn(C)c4=O)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
HTR7 P34969 1/20 0.49
MAPT P10636 2/20 0.49
DRD2 P14416 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46

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 0.85 L3MBTL1 (0.65) BRD9L3MBTL1RAB9AHTR7MAPT
SCHEMBL11072138 0.84 L3MBTL1 (0.61) BRD9L3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL11070569 0.83 HSD17B10 (0.47) L3MBTL1SMN1; SMN2RAB9AMAPTDRD2
SCHEMBL11085992 0.82 SMN1; SMN2 (0.49) BRD9L3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL9456719 0.77 CYP1A2 (0.59) L3MBTL1RAB9ANPC1MAPTDRD2
SCHEMBL29656856 0.76 HTR3E (0.73) L3MBTL1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL28599511 0.76 HTR3E (0.73) L3MBTL1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL9457409 0.75 KMT2A (0.66) L3MBTL1RAB9AMAPTKMT2ALMNA
SCHEMBL11069599 0.74 MAPT (0.64) L3MBTL1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL9386389 0.74 DRD2 (0.56) L3MBTL1SMN1; SMN2HTR7MAPTDRD2

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