SCHEMBL5778017

SCHEMBL5778017

C=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 11/20 0.45
TSHR P16473 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CES2 O00748 1/20 0.44
HIF1A Q16665 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 9/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 1/20 0.39
MLYCD O95822 1/20 0.39

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
SCHEMBL5777755 0.83 HPGD (0.66) HPGDLMNAPOLBTSHRMEN1
SCHEMBL5771647 0.81 HPGD (0.62) HPGDLMNAPOLBTSHRMEN1
SCHEMBL5775274 0.75 SMN1; SMN2 (0.40) HPGDLMNAKMT2ACES2SMN1; SMN2
SCHEMBL7185944 0.73 CES2 (0.40) HPGDLMNATSHRMEN1KMT2A
SCHEMBL5776748 0.71 KMT2A (0.50) HPGDLMNAPOLBTSHRKMT2A
SCHEMBL23621098 0.71 CES2 (0.58) CES2
SCHEMBL7182897 0.71 HPGD (0.50) HPGDTSHRMEN1KMT2AL3MBTL1
SCHEMBL13984577 0.71 CES2 (0.58) LMNATSHRCES2
SCHEMBL21416849 0.70 ALDH1A1 (0.51) HPGDLMNAPOLBTSHRMEN1
SCHEMBL11279582 0.69 LMNA (0.50) HPGDLMNAPOLBKMT2ACES2

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