SCHEMBL9568889

SCHEMBL9568889

CON(C)C(=O)C1=CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
THRB P10828 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
BLM P54132 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4516930 0.76 CHRM3 (0.54) QDPRLMNACHRM2CHRM4CHRM5
SCHEMBL3579440 0.76 TRPV1 (0.49) KMT2ALMNA
SCHEMBL1971079 0.75 CYP2C9 (0.42) ALDH1A1LMNACHRM2CHRM4CHRM5
SCHEMBL2226831 0.74 CHRM2 (0.61) LMNACHRM2CHRM4CHRM5THRB
Hydrochloric Acid SCHEMBL10419893 0.73 CYP2C9 (0.41) ALDH1A1KMT2ALMNACHRM2CHRM4
SCHEMBL3841650 0.73 QDPR (0.43) QDPRLMNABLM
SCHEMBL1538433 0.73 QDPR (0.43) QDPR
SCHEMBL13183420 0.73 HDAC4 (0.44) ALDH1A1KMT2ALMNACHRM2CHRM4
SCHEMBL11887371 0.72 QDPR (0.42) QDPR
SCHEMBL9203433 0.72 QDPR (0.42) QDPR

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
EP-2797889-A1 NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Centaurus Biopharma Co., Ltd. (CN) 2014-11-05 EP disclosed
WO-2013097773-A1 NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-07-04 WO disclosed
EP-0537993-A1 Nicotinic activity of a series of arecolones and isoarecolones ELI LILLY AND COMPANY (US) 1993-04-21 EP disclosed