SCHEMBL7968459

SCHEMBL7968459

Cc1cc(N2CCCC2)c2nc(-c3ccccc3)[nH]c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.54
NCF1 P14598 3/20 0.50
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
GRIN2B Q13224 1/20 0.41
MAT2A P31153 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL7979823 0.88 POLB (0.43) NPY5RNCF1GAANPC1RAB9A
SCHEMBL7978337 0.87 KMT2A (0.50) NPY5RNCF1MAPTALDH1A1KMT2A
SCHEMBL7982268 0.86 NPY5R (0.44) NPY5RNCF1GAAMAPTALDH1A1
SCHEMBL7981498 0.83 CBFB (0.45) NPY5RNCF1MAPTALDH1A1HSD17B10
SCHEMBL7985050 0.79 NPY5R (0.62) NPY5RNCF1GAAMAPTADRB2
SCHEMBL7981527 0.78 NPY5R (0.64) NPY5RNCF1GAAMAPTALDH1A1
SCHEMBL7981521 0.77 NCF1 (0.36) NPY5RNCF1GAAMAPTALDH1A1
SCHEMBL7981525 0.76 NPY5R (0.55) NPY5RGAAMAPTCYP1A2CYP2D6
SCHEMBL7978430 0.75 METAP1 (0.36) NPY5RNCF1MAT2A
SCHEMBL17524931 0.75 MAPT (0.51) GAAMAPTALDH1A1KMT2AHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003744-A1 4-AMINOPYRROLE(3,2-d) PYRIMIDINES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2000-05-31 EP claimed
WO-1999007703-A1 4-AMINOPYRROLE(3,2-d) PYRIMIDINES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 1999-02-18 WO claimed
US-6187778-B1 EATING AND CARDIOVASCULAR DISORDERS PFIZER INC. 2001-02-13 US disclosed
EP-1003744-A1 4-AMINOPYRROLE(3,2-d) PYRIMIDINES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2000-05-31 EP disclosed
WO-1999007703-A1 4-AMINOPYRROLE(3,2-d) PYRIMIDINES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 1999-02-18 WO disclosed