SCHEMBL5771155

SCHEMBL5771155

Cc1nc(N2CCCCC2)c2sc(-c3ccc(Cl)cc3)cc2n1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.78
MCHR1 Q99705 3/20 0.46
PRKCI P41743 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 SCHEMBL5773817 0.99 NPY5R (0.76) NPY5RMCHR1PRKCISMN1; SMN2MEN1
SCHEMBL5772334 0.88 NPY5R (0.78) NPY5RPRKCISMN1; SMN2MEN1KMT2A
SCHEMBL5773316 0.88 NPY5R (1.00) NPY5RPRKCISMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL5774363 0.86 NPY5R (0.97) NPY5RPRKCISMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL5773169 0.86 NPY5R (0.74) NPY5RPRKCISMN1; SMN2MEN1KMT2A
SCHEMBL5775005 0.77 NPY5R (0.47) NPY5RMCHR1PRKCISMN1; SMN2KDM4E
SCHEMBL22727925 0.77 NPY5R (0.65) NPY5RPRKCIKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL5774152 0.75 NPY5R (0.46) NPY5RMCHR1PRKCISMN1; SMN2KDM4E
SCHEMBL5771137 0.73 NPY5R (0.78) NPY5RMEN1KMT2AKDM4EALDH1A1
SCHEMBL5772544 0.73 NPY5R (0.82) NPY5R

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