SCHEMBL6801489

SCHEMBL6801489

N=C(N)NCCC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 7/20 0.61
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
TACR1 P25103 3/20 0.43
HPGD P15428 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
FOLH1 Q04609 2/20 0.40
SHMT1 P34896 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
SCHEMBL5319184 0.93 C3AR1 (0.52) C3AR1LMNAPOLBTACR1HPGD
Trifluoroacetic Acid SCHEMBL8528372 0.86 NPY4R (0.50) C3AR1LMNAPOLBTACR1
SCHEMBL1568736 0.86 C3AR1 (0.83) C3AR1FNTAFNTBPGGT1BFOLH1
SCHEMBL1568729 0.86 C3AR1 (0.83) C3AR1FNTAFNTBPGGT1BFOLH1
SCHEMBL8064045 0.85 C3AR1 (0.55) C3AR1FNTAFNTBPGGT1B
SCHEMBL9058352 0.84 NPY4R (0.57)
SCHEMBL10277213 0.84 C3AR1 (0.53) C3AR1HPGDSHMT1
SCHEMBL4407484 0.84 C3AR1 (0.53) C3AR1HPGDSHMT1
SCHEMBL29697124 0.82 C3AR1 (0.52) C3AR1FNTAFNTBPGGT1BFOLH1
SCHEMBL30139852 0.81 C3AR1 (0.51) C3AR1FOLH1SHMT1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053864-A1 Methods and compositions for control of bone formation via modulation of neuropeptide y activity BAYLOR COLLEGE OF MEDICINE 2004-03-18 US disclosed
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed
WO-2001053477-A1 METHODS AND COMPOSITIONS FOR CONTROL OF BONE FORMATION VIA MODULATION OF NEUROPEPTIDE Y ACTIVITY BAYLOR COLLEGE OF MEDICINE (US) 2001-07-26 WO disclosed
US-6127414-A NPY antagonists ASTRA AKTIEBOLAG (SE) 2000-10-03 US disclosed
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999063990-A1 NEW USE ASTRAZENECA AB (SE) 1999-12-16 WO disclosed
WO-1999018948-A1 NEW USE OF NPY ANTAGONISTS ASTRA AKTIEBOLAG (SE) 1999-04-22 WO disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed