SCHEMBL5773316

SCHEMBL5773316

Cc1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 1.00
PRKCI P41743 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CNR2 P34972 3/20 0.52
CNR1 P21554 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CYP2D6 P10635 1/20 0.49

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 SCHEMBL5774363 0.99 NPY5R (0.97) NPY5RPRKCIMEN1KMT2AKDM4E
SCHEMBL5771155 0.88 NPY5R (0.78) NPY5RPRKCIMEN1KMT2AKDM4E
SCHEMBL5772334 0.88 NPY5R (0.78) NPY5RPRKCIMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5773817 0.86 NPY5R (0.76) NPY5RPRKCIMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5773169 0.85 NPY5R (0.74) NPY5RPRKCIMEN1KMT2ASMN1; SMN2
SCHEMBL5776579 0.84 NPY5R (0.72) NPY5RPRKCIMEN1KMT2AKDM4E
SCHEMBL5774210 0.82 NPY5R (0.69) NPY5RPRKCIMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5771345 0.82 NPY5R (0.69) NPY5RPRKCIMEN1KMT2AKDM4E
SCHEMBL5772205 0.81 NPY5R (0.69) NPY5RPRKCIKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5774401 0.81 NPY5R (0.67) NPY5RPRKCIKDM4EALDH1A1SMN1; SMN2

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 4 patents. 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
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed