SCHEMBL14899093

SCHEMBL14899093

CNCC(=O)N[C@H]1CN[C@H](c2nc3ccc(Cc4ccccc4)cc3[nH]2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 3/20 0.44
SCN10A Q9Y5Y9 1/20 0.40
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.37
GSK3B P49841 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CHEK2 O96017 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL10173678 0.94 GID4 (0.43) GID4SCN10AUSP2MAPK1GSK3B
SCHEMBL7732752 0.90 GID4 (0.41) GID4SCN10AUSP2MAPK1GSK3B
SCHEMBL7733339 0.82 GID4 (0.41) GID4SCN10AUSP2MAPK1GSK3B
SCHEMBL2067985 0.82 GID4 (0.41) GID4SCN10AUSP2MAPK1GSK3B
SCHEMBL7732464 0.75 SCN10A (0.42) SCN10AUSP2ALDH1A1ALOX15GRIN1
SCHEMBL7729028 0.73 SMYD3 (0.41) GID4USP2GSK3BGAAPKM
SCHEMBL7729522 0.72 LPAR2 (0.42) MAPK1ALDH1A1TSHRHDAC6CYP1A2
SCHEMBL8144435 0.71 CACNA1G (0.40) MAPK1GRIN1GRIN2BGAAPKM
SCHEMBL21436230 0.71 ALDH1A1 (0.41) ALDH1A1ALOX15
SCHEMBL7731211 0.71 ALDH1A1 (0.41) ALDH1A1ALOX15

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-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed