SCHEMBL6561722

SCHEMBL6561722

C=CCOc1ccc2c(ccn2CC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR2C P28335 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA9 Q16790 4/20 0.43
FGFR1 P11362 1/20 0.42
PPARD Q03181 5/20 0.40
PPARA Q07869 4/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40

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
SCHEMBL5973952 0.85 GRM2 (0.51) KDM4EPOLBPKMMEN1MAPT
SCHEMBL7232110 0.80 HTR2C (0.49) KDM4EMEN1MAPTKMT2AHTR2C
SCHEMBL7232114 0.79 HTR2C (0.64) KDM4EPOLBMEN1MAPTKMT2A
SCHEMBL3208936 0.79 CA12 (0.38) MEN1MAPTKMT2AHTR2CCA12
SCHEMBL3215370 0.79 KDM4C (0.46) MEN1KMT2AFGFR1PPARDPPARA
SCHEMBL4401260 0.76 KDM4E (0.53) KDM4EMEN1MAPTKMT2AHTR2C
SCHEMBL4397627 0.76 HTR2C (0.49) KDM4EMEN1MAPTKMT2AHTR2C
SCHEMBL4397541 0.76 HTR2C (0.49) KDM4EMEN1MAPTKMT2AHTR2C
SCHEMBL4499757 0.75 HTR2C (0.48) KDM4EMEN1MAPTKMT2AHTR2C
Dimethylamine SCHEMBL3332584 0.75 MTNR1A (0.60) KDM4EPOLBMEN1MAPTKMT2A

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
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed