SCHEMBL5773067

SCHEMBL5773067

Cc1nc(NCCCC(C(=O)O)c2ccccc2)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
PKM P14618 1/20 0.36
PTGFR P43088 3/20 0.36
TACR3 P29371 4/20 0.35
TP53 P04637 1/20 0.35
ADORA1 P30542 3/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
ADORA2A P29274 1/20 0.34
LTB4R Q15722 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 SCHEMBL5776728 0.79 PDE5A (0.44) ALDH1A1KDM4EHPGDTP53ADORA1
SCHEMBL5773056 0.78 PDE5A (0.39) ALDH1A1KDM4EHPGDLTB4RLMNA
SCHEMBL5775960 0.77 NPY5R (0.56) ALDH1A1KDM4EHPGDTP53ADORA1
SCHEMBL8115271 0.75 GBA1 (0.40) KDM4EADORA1ADORA2ACYP3A4
SCHEMBL7184161 0.74 NPY5R (0.63)
Hydrochloric Acid SCHEMBL7184439 0.74 GBA1 (0.40) KDM4EADORA1ADORA2ACYP3A4
SCHEMBL5777041 0.73 NPY5R (0.54) ALDH1A1KDM4EHPGDPKMTACR3
SCHEMBL8126898 0.73 IGF1R (0.39) ALDH1A1KDM4EHPGDPKMADORA1
SCHEMBL5771208 0.73 KDM4E (0.39) ALDH1A1KDM4EHPGDPKMADORA1
SCHEMBL6216000 0.72 MEN1 (0.46) ALDH1A1KDM4EHPGDPKMADORA1

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 3 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 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