SCHEMBL5774210

SCHEMBL5774210

Cc1nc(N2CCc3ccccc3C2)c2sc(-c3ccccc3)cc2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.69
PRKCI P41743 2/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CNR2 P34972 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CNR1 P21554 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44

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 SCHEMBL5772326 0.98 NPY5R (0.67) NPY5RPRKCIKDM4ESMN1; SMN2CNR2
SCHEMBL5773316 0.82 NPY5R (1.00) NPY5RPRKCIKDM4ESMN1; SMN2CNR2
Hydrochloric Acid SCHEMBL5774363 0.81 NPY5R (0.97) NPY5RPRKCIKDM4ESMN1; SMN2CNR2
SCHEMBL5776579 0.79 NPY5R (0.72) NPY5RPRKCIKDM4ESMN1; SMN2CNR2
Hydrochloric Acid SCHEMBL5771345 0.77 NPY5R (0.69) NPY5RPRKCIKDM4ESMN1; SMN2CNR2
SCHEMBL22727925 0.71 NPY5R (0.65) NPY5RPRKCIKDM4EALDH1A1LMNA
SCHEMBL5423216 0.71 KDM4E (0.51) NPY5RKDM4ESMN1; SMN2CNR2ALDH1A1
SCHEMBL5771155 0.71 NPY5R (0.78) NPY5RPRKCIKDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5773169 0.69 NPY5R (0.74) NPY5RPRKCISMN1; SMN2MEN1KMT2A
SCHEMBL16453796 0.67 HRH4 (0.62) NPY5RKDM4ESMN1; SMN2ALDH1A1MEN1

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