SCHEMBL8517287

SCHEMBL8517287

Cc1cnc(C)c2c1COC(C)(C)O2

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPK1 P28482 1/20 0.64
MAOB P27338 4/20 0.54
MAPT P10636 2/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL14015233 0.82 MAOB (0.64) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL3443164 0.80 KMT2A (0.72) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL11458508 0.80 KMT2A (0.72) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL11012435 0.80 ALDH1A1 (0.72) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL14062525 0.80 KMT2A (0.72) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL10953367 0.80 KMT2A (0.97) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL11015164 0.79 MAOB (0.61) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL11012347 0.79 MAOB (0.61) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL4913458 0.79 KMT2A (0.56) KMT2AALDH1A1MAPK1MAOBMAPT
SCHEMBL14015231 0.77 KMT2A (0.69) KMT2AALDH1A1MAPK1MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4355033-A TREATMENT OF HYPERTENSION HOFFMAN-LA ROCHE INC. (US) 1982-10-19 US claimed
EP-0002010-B1 DERIVATIVES OF 2-IMINO-IMIDAZOLIDINE, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-07-14 EP claimed
EP-0002010-A1 Derivatives of 2-imino-imidazolidine, processes for their preparation, pharmaceutical compositions containing them and intermediates F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-05-30 EP claimed
US-7442689-B2 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2008-10-28 US disclosed
EP-0617968-B1 HIV protease inhibitors in pharmaceutical combinations for the treatment of AIDS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-4511720-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-04-16 US disclosed
US-4355033-A TREATMENT OF HYPERTENSION HOFFMAN-LA ROCHE INC. (US) 1982-10-19 US disclosed
EP-0002010-B1 DERIVATIVES OF 2-IMINO-IMIDAZOLIDINE, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-07-14 EP disclosed
US-4244957-A HYPOTENSIVE AGENTS HOFFMAN-LA ROCHE INC. (US) 1981-01-13 US disclosed
EP-0002010-A1 Derivatives of 2-imino-imidazolidine, processes for their preparation, pharmaceutical compositions containing them and intermediates F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-05-30 EP disclosed
EP-0002010-A1 Derivatives of 2-imino-imidazolidine, processes for their preparation, pharmaceutical compositions containing them and intermediates F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-05-30 EP disclosed