SCHEMBL5774614

SCHEMBL5774614

C/C(=C\c1ccc(F)cc1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPA1 O75762 7/20 0.41
ABCB11 O95342 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5774618 1.00 ALDH1A1 (0.46) ALDH1A1LMNATP53MAPTKMT2A
SCHEMBL613703 0.81 HPGD (0.51) ALDH1A1MAPTKMT2AMEN1
SCHEMBL11789535 0.80 L3MBTL1 (0.46) ALDH1A1LMNAMAPTKMT2ATRPA1
SCHEMBL11789537 0.80 L3MBTL1 (0.46) ALDH1A1LMNAMAPTKMT2ATRPA1
SCHEMBL5775659 0.79 SMN1; SMN2 (0.53) ALDH1A1TP53MAPTGAA
SCHEMBL26156777 0.71 TRPA1 (0.50) ALDH1A1LMNAMAPTKMT2ATRPA1
SCHEMBL29253491 0.68 ADRB1 (0.46) ALDH1A1LMNAMAPTKMT2ASIGMAR1
SCHEMBL13069540 0.68 ALDH1A1 (0.51) ALDH1A1LMNATP53KMT2AGAA
SCHEMBL4432627 0.67 MAPT (0.48) ALDH1A1LMNAMAPTKMT2ATRPA1
SCHEMBL13069008 0.67 L3MBTL1 (0.55) ALDH1A1LMNAMAPTTDP1

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