SCHEMBL12200730

SCHEMBL12200730

CC(=O)C1CCN(Cc2ccc(C)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
GAA P10253 1/20 0.55
ALDH1A1 P00352 3/20 0.54
PKM P14618 1/20 0.54
S1PR1 P21453 1/20 0.54
S1PR5 Q9H228 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HRH1 P35367 1/20 0.52
KDM4E B2RXH2 1/20 0.52
GFER P55789 1/20 0.52
ATM Q13315 1/20 0.51

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
SCHEMBL21820693 0.87 TEAD1 (0.58) GAAALDH1A1KDM4E
SCHEMBL13236630 0.87 S1PR5 (0.66) L3MBTL1GAAALDH1A1PKMS1PR1
SCHEMBL14174789 0.86 ALDH1A1 (0.67) L3MBTL1GAAALDH1A1PKMS1PR1
SCHEMBL592839 0.85 MEN1 (0.66) MEN1KMT2A
SCHEMBL31612500 0.84 ALDH1A1 (0.61) L3MBTL1GAAALDH1A1S1PR1S1PR5
SCHEMBL14902978 0.83 S1PR1 (0.69) L3MBTL1ALDH1A1PKMS1PR1S1PR5
SCHEMBL798026 0.83 MEN1 (0.56) ALDH1A1S1PR1S1PR5MEN1KMT2A
SCHEMBL12640184 0.83 SIGMAR1 (0.54) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL18117051 0.81 S1PR5 (0.71) L3MBTL1S1PR1S1PR5SMN1; SMN2
SCHEMBL27895733 0.81 ALDH1A1 (0.61) L3MBTL1ALDH1A1LMNAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034946-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-10-11 US disclosed