SCHEMBL5777061

SCHEMBL5777061

CCc1nc(N2CCc3ccccc3C2)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.49
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
GRIN2D O15399 3/20 0.42
GRIN3B O60391 3/20 0.42
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
GRIN2B Q13224 3/20 0.42
GRIN2C Q14957 3/20 0.42
GRIN3A Q8TCU5 3/20 0.42
CHRM1 P11229 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42

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 SCHEMBL5774697 0.98 NPY5R (0.48) NPY5RMAPTMEN1CYP1A2CYP2C9
SCHEMBL5773135 0.74 SMN1; SMN2 (0.55) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5771921 0.71 SMN1; SMN2 (0.55) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5777055 0.70 NPY5R (0.75) NPY5R
SCHEMBL5775329 0.70 KDM4E (0.45) NPY5RSMN1; SMN2ADORA3ADORA2AADORA1
SCHEMBL5774486 0.69 HSD17B10 (0.43) NPY5RKMT2AADORA1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5774690 0.69 NPY5R (0.72) NPY5R
SCHEMBL5773349 0.69 NPY5R (0.52) NPY5RKMT2AKDM4EL3MBTL1
SCHEMBL5771896 0.69 NPY5R (0.52) NPY5RKMT2AKDM4EL3MBTL1
SCHEMBL5772976 0.68 NPY5R (0.42) NPY5RMEN1KMT2ANPC1RAB9A

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 2 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
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 claimed