SCHEMBL7994660

SCHEMBL7994660

NC(=O)C1CCCCN1N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
EPHX1 P07099 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ALOX5 P09917 2/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL4963583 0.93
SCHEMBL4963577 0.93
SCHEMBL13533918 0.93
SCHEMBL7993708 0.83
SCHEMBL2399501 0.82 ACE (0.42) MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL8560270 0.80 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1EPHX1CA12
SCHEMBL11547875 0.77 EPHX1 (0.35) SMN1; SMN2ALDH1A1EPHX1CA12CA1
SCHEMBL23644003 0.77 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL16200561 0.77 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1CA12CA1
SCHEMBL2557179 0.76 CYP3A4 (0.39) SMN1; SMN2EPHX1CA12CA1CA2

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
WO-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO disclosed