SCHEMBL6801482

SCHEMBL6801482

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ C3AR1 Q16581 1/20 0.45
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ RRM1 P23921 1/20 0.38
▸ FNTA P49354 4/20 0.38
▸ FNTB P49356 4/20 0.38
▸ PGGT1B P53609 4/20 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
SCHEMBL6801475 1.00 CNR1 (0.48) CNR1CNR2C3AR1HDAC3HDAC4
SCHEMBL14090782 0.83 C3AR1 (0.47) CNR1CNR2C3AR1NPSR1FOLH1
SCHEMBL4565586 0.83 C3AR1 (0.47) CNR1CNR2C3AR1NPSR1FOLH1
SCHEMBL1724846 0.82 FOLH1 (0.40) C3AR1FOLH1NPY4RGNPATNPY1R
SCHEMBL4552682 0.82 FOLH1 (0.40) C3AR1FOLH1NPY4RGNPATNPY1R
SCHEMBL31184339 0.81 FOLH1 (0.39) C3AR1FOLH1NPY4RGNPATNPY1R
SCHEMBL9661344 0.80 C3AR1 (0.43) CNR1CNR2C3AR1NPSR1FOLH1
SCHEMBL9661340 0.80 C3AR1 (0.43) CNR1CNR2C3AR1NPSR1FOLH1
Hydrochloric Acid SCHEMBL9659549 0.79 C3AR1 (0.42) CNR1CNR2C3AR1NPSR1FOLH1
Hydrochloric Acid SCHEMBL9659539 0.79 C3AR1 (0.42) CNR1CNR2C3AR1NPSR1FOLH1

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
Send feedback