SCHEMBL9303912

SCHEMBL9303912

O=C(CCc1ccccc1Cl)NCCc1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ GFER P55789 1/20 0.67
▸ MTNR1A P48039 2/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ POLB P06746 1/20 0.67
▸ AANAT Q16613 1/20 0.65
▸ ALDH1A1 P00352 2/20 0.63
▸ HSD17B2 P37059 1/20 0.62
▸ MAPT P10636 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ SIRT1 Q96EB6 1/20 0.60

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
SCHEMBL7677886 0.91 MEN1 (0.84) MEN1KMT2AGFERMTNR1ANPC1
SCHEMBL7849865 0.88 MEN1 (0.74) MEN1KMT2AGFERMTNR1ANPC1
SCHEMBL7851164 0.85 MEN1 (0.71) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL9303476 0.85 MEN1 (0.71) MEN1KMT2AGFERMTNR1AAANAT
SCHEMBL9302879 0.85 MEN1 (0.71) MEN1KMT2AGFERMTNR1ANPC1
SCHEMBL7846928 0.84 GFER (0.80) MEN1KMT2AGFERMTNR1ANPC1
SCHEMBL7852879 0.84 GFER (0.84) MEN1KMT2AGFERMTNR1ANPC1
SCHEMBL9117842 0.84 MEN1 (0.76) MEN1KMT2AGFERMTNR1ANPC1
SCHEMBL761481 0.83 MTNR1A (0.88) MEN1KMT2AGFERMTNR1ANPC1
SCHEMBL19051489 0.83 MEN1 (0.80) MEN1KMT2AGFERMTNR1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283343-A Melatonin antagonists WHITBY RESEARCH, INC. (US) 1994-02-01 — — US disclosed
US-5093352-A Melatonin inhibitor, sleep, 2-aryl N-acetyl tryptamine WHITBY RESEARCH, INC. (US) 1992-03-03 — — US disclosed
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