SCHEMBL5776584

SCHEMBL5776584

Cc1nc(C2C=CCCN2)c2sc(-c3ccccc3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.47
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
PRKCI P41743 2/20 0.38
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CDC7 O00311 2/20 0.34
DBF4 Q9UBU7 2/20 0.34
IKBKB O14920 1/20 0.34
CNR2 P34972 2/20 0.34
RAD52 P43351 1/20 0.33
EGFR P00533 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 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
Hydrochloric Acid SCHEMBL5771348 0.98 NPY5R (0.46) NPY5RNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5773747 0.77 NPY5R (0.51) NPY5RNPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5774370 0.76 NPY5R (0.50) NPY5RNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5776579 0.67 NPY5R (0.72) NPY5RNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5771159 0.66 RAB9A (0.42) NPY5RNPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5771345 0.65 NPY5R (0.69) NPY5RNPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5773821 0.65 RAB9A (0.44) NPY5RNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5773316 0.65 NPY5R (1.00) NPY5RNPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5773172 0.64 KCNH2 (0.41) NPY5RRAB9APRKCI
Hydrochloric Acid SCHEMBL5774363 0.64 NPY5R (0.97) NPY5RNPC1RAB9ASMN1; SMN2KDM4E

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
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP claimed