SCHEMBL7981498

SCHEMBL7981498

Cc1cc(N2CCCC2)c2nc(-c3ccccn3)[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 8/20 0.45
METAP1 P53582 4/20 0.44
NPY5R Q15761 3/20 0.44
KDM4E B2RXH2 2/20 0.43
NCF1 P14598 1/20 0.43
METAP2 P50579 4/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
CDC42BPB Q9Y5S2 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 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
SCHEMBL7968459 0.83 NPY5R (0.54) NPY5RKDM4ENCF1NPC1RAB9A
SCHEMBL7979823 0.79 POLB (0.43) NPY5RNCF1ROCK2ROCK1NPC1
SCHEMBL7978430 0.79 METAP1 (0.36) METAP1NPY5RNCF1
SCHEMBL7981521 0.78 NCF1 (0.36) NPY5RKDM4ENCF1ROCK2ROCK1
SCHEMBL7978337 0.78 KMT2A (0.50) NPY5RKDM4ENCF1ROCK2ROCK1
SCHEMBL124273 0.74 CBFB (0.68) CBFBMETAP1KDM4EMETAP2NPC1
SCHEMBL12944360 0.69 NPC1 (0.56) CBFBMETAP1KDM4EMETAP2NPC1
SCHEMBL7968456 0.68 NCF1 (0.41) NPY5RKDM4ENCF1NPC1RAB9A
SCHEMBL125111 0.67 CBFB (0.67) CBFBMETAP1KDM4EMETAP2NPC1
SCHEMBL14895434 0.66 MTOR (0.69) CBFBMETAP1KDM4EMETAP2ALDH1A1

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