SCHEMBL7409778

SCHEMBL7409778

CC(C[C@H](N)C(=O)Nc1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
AAK1 Q2M2I8 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LTA4H P09960 3/20 0.46
POLB P06746 1/20 0.45
LARS1 Q9P2J5 1/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
METAP2 P50579 1/20 0.44
CIT O14578 1/20 0.43

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
SCHEMBL7376207 0.85 AAK1 (0.64) TAAR1MMEACEAAK1MEN1
SCHEMBL7376209 0.85 AAK1 (0.64) TAAR1MMEACEAAK1MEN1
SCHEMBL11784661 0.85 GAA (0.53) TAAR1MMEACEAAK1MEN1
Hydrochloric Acid SCHEMBL10788646 0.84 AAK1 (0.62) TAAR1MMEACEAAK1MEN1
Acetic Acid SCHEMBL8935166 0.83 AAK1 (0.61) TAAR1MMEACEAAK1MEN1
Hydrochloric Acid SCHEMBL10846536 0.79 LTA4H (0.52) TAAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL3954076 0.78 LTA4H (0.67) TAAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL5270163 0.78 MEN1 (0.60) TAAR1MMEACEMEN1KMT2A
SCHEMBL10791327 0.78 MEN1 (0.60) TAAR1MMEACEMEN1KMT2A
SCHEMBL14209990 0.78 MEN1 (0.60) TAAR1MMEACEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5403952-A Substituted cyclic derivatives as novel antidegenerative agents MERCK & CO., INC. (US) 1995-04-04 US disclosed