SCHEMBL5772492

SCHEMBL5772492

Cc1nc(C2CCNCC2)c2nc(-c3ccccc3)cc-2n1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.43
GABRB2 P47870 16/20 0.43
NSD3 Q9BZ95 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7187618 0.73 ALDH1A1 (0.44) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL5774654 0.71 NPY5R (0.41) NSD3CCNT1CDK9KDM4EMEN1
SCHEMBL7190615 0.70 KMT2A (0.48) KDM4EALDH1A1KMT2A
SCHEMBL5776182 0.68 HPGDS (0.40) CCNT1CDK9KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5777280 0.67 HPGDS (0.39) CCNT1CDK9KDM4EMEN1ALDH1A1
SCHEMBL6981381 0.64 HRH4 (0.62) KDM4EMEN1ALDH1A1MAPTRAB9A
SCHEMBL5775024 0.64 NPY5R (0.53) GABRA1GABRB2NSD3ALDH1A1KMT2A
SCHEMBL5774225 0.64 NPY5R (0.50) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL10880344 0.63 HTR2A (0.44) GABRA1GABRB2CCNT1CDK9MEN1
SCHEMBL7553650 0.63 PRCP (0.56) GABRA1GABRB2NSD3

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
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
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