SCHEMBL5771159

SCHEMBL5771159

Cc1nc(C2CCNCC2)c2sc(-c3ccc(Cl)cc3)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
KIT P10721 1/20 0.41
KCNH2 Q12809 3/20 0.40
NPY5R Q15761 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MCHR1 Q99705 4/20 0.37
CHEK1 O14757 2/20 0.37
PRKCI P41743 1/20 0.36
HTR6 P50406 1/20 0.35
GHSR Q92847 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
CHRM4 P08173 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
Hydrochloric Acid SCHEMBL5773821 0.99 RAB9A (0.44) RAB9AKDM4ELMNASMN1; SMN2NPC1
SCHEMBL5772338 0.88 KCNH2 (0.42) RAB9AKITKCNH2NPY5RPRKCI
SCHEMBL5773747 0.88 NPY5R (0.51) RAB9AKDM4ELMNASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5774370 0.87 NPY5R (0.50) RAB9AKDM4ELMNASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5773172 0.86 KCNH2 (0.41) RAB9AKITKCNH2NPY5RPRKCI
SCHEMBL5773890 0.74 CHRM4 (0.38) RAB9ANPC1KITKCNH2NPY5R
Hydrochloric Acid SCHEMBL7188454 0.73 CHRM4 (0.37) RAB9ANPC1KITKCNH2NPY5R
SCHEMBL5771155 0.69 NPY5R (0.78) KDM4ESMN1; SMN2NPY5RMCHR1PRKCI
Hydrochloric Acid SCHEMBL5773817 0.68 NPY5R (0.76) KDM4ESMN1; SMN2NPY5RMCHR1PRKCI
SCHEMBL5776584 0.66 NPY5R (0.47) RAB9AKDM4ELMNASMN1; SMN2NPC1

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