SCHEMBL3713017

SCHEMBL3713017

COc1ncc(-c2ccnc(C)c2)cc1NC(=O)[C@H](Cc1ccccc1)N(c1ccccn1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 4/20 0.51
WNT3A P56704 10/20 0.39
PIK3C3 Q8NEB9 1/20 0.37
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL3710190 0.91 GPR142 (0.60) GPR142
SCHEMBL2685595 0.88 GPR142 (0.52) GPR142WNT3APIK3C3MAPK1ALOX15
SCHEMBL3714046 0.84 GPR142 (0.62) GPR142
SCHEMBL3718930 0.81 GPR142 (0.53) GPR142
SCHEMBL2684336 0.80 GPR142 (0.53) GPR142WNT3APIK3C3PSEN1PSEN2
SCHEMBL2685352 0.79 GPR142 (0.48) GPR142WNT3APIK3C3MAPK1PSEN1
SCHEMBL2686194 0.79 GPR142 (0.46) GPR142WNT3APIK3C3MAPK1PSEN1
SCHEMBL2685598 0.78 GPR142 (0.57) GPR142
SCHEMBL3720905 0.77 GPR142 (0.61) GPR142ALOX15TSHRHTTSMN1; SMN2
SCHEMBL2685800 0.77 GPR142 (0.57) GPR142WNT3AMAPK1PSEN1PSEN2

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-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed