SCHEMBL11269915

SCHEMBL11269915

NCC(C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.68
▸ KMT2A Q03164 5/20 0.68
▸ MAPT P10636 4/20 0.68
▸ PKM P14618 1/20 0.68
▸ HTR2A P28223 1/20 0.58
▸ HTR2C P28335 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ CTSK P43235 1/20 0.56
▸ GPR84 Q9NQS5 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MPO P05164 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ MGAM O43451 5/20 0.52
▸ GAA P10253 5/20 0.52
▸ SI P14410 5/20 0.52
▸ MGAM2 Q2M2H8 5/20 0.52

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
SCHEMBL2932417 0.84 MAPT (0.76) MEN1KMT2AMAPTPKMCTSK
SCHEMBL6834853 0.84 MAPT (0.76) MEN1KMT2AMAPTPKMCTSK
SCHEMBL148211 0.84 MAPT (0.68) MEN1KMT2AMAPTPKMHTR2A
SCHEMBL6835648 0.84 MAPT (0.76) MEN1KMT2AMAPTPKMCTSK
SCHEMBL2087167 0.83 MAPT (0.66) MEN1KMT2AMAPTPKMCTSK
SCHEMBL17520555 0.82 HTR2A (0.56) MEN1KMT2AMAPTPKMHTR2A
SCHEMBL19168545 0.82 HTR2A (0.56) MEN1KMT2AMAPTPKMHTR2A
SCHEMBL19161105 0.82 HTR2A (0.56) MEN1KMT2AMAPTPKMHTR2A
SCHEMBL4860329 0.82 GPR84 (0.68) MEN1KMT2AMAPTPKMHTR2A
SCHEMBL22478760 0.82 MAPT (0.64) MEN1KMT2AMAPTPKMHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4283410-A HYPOTENSIVE AGENTS MILES LABORATORIES, INC. (US) 1981-08-11 — — US claimed
US-4361566-A Tetrahydro β-carbolines having antihypertensive activity MILES LABORATORIES, INC. (US) 1982-11-30 — — US disclosed
US-4291039-A Tetrahydro β-carbolines having anti-hypertensive activity MILES LABORATORIES, INC. (US) 1981-09-22 — — US disclosed
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