SCHEMBL7979823

SCHEMBL7979823

Cc1cc(N2CCCC2)c2nc(-c3ccncc3)[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
NPY5R Q15761 4/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
NCF1 P14598 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
RHEB Q15382 1/20 0.37
CDC7 O00311 1/20 0.37
CDK9 P50750 1/20 0.37
PRKCI P41743 1/20 0.36
GBA1 P04062 1/20 0.36
PDE10A Q9Y233 1/20 0.35
PKN1 Q16512 2/20 0.35
PKN2 Q16513 2/20 0.35
CHKA P35790 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
SCHEMBL7968459 0.88 NPY5R (0.54) NPY5RGAANCF1NPC1RAB9A
SCHEMBL7978337 0.85 KMT2A (0.50) POLBNPY5RNCF1NPC1RAB9A
SCHEMBL7982268 0.85 NPY5R (0.44) NPY5RMGAMGAASIMGAM2
SCHEMBL7978430 0.79 METAP1 (0.36) NPY5RNCF1PDE10A
SCHEMBL7981498 0.79 CBFB (0.45) NPY5RNCF1NPC1RAB9AROCK2
SCHEMBL7981521 0.79 NCF1 (0.36) NPY5RGAANCF1ROCK2ROCK1
SCHEMBL10663382 0.78 NPY5R (0.49) NPY5RMGAMGAASIMGAM2
SCHEMBL10666766 0.77 NPY5R (0.51) NPY5RMGAMGAASIMGAM2
SCHEMBL10665127 0.73 NPY5R (0.44) NPY5RMGAMGAASIMGAM2
SCHEMBL10662774 0.72 JAK3 (0.44) NPY5RROCK2ROCK1CDC7

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