SCHEMBL18039655

SCHEMBL18039655

C/C(=C\C(Cc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43
MC3R P41968 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 6/20 0.41
PPARA Q07869 5/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MME P08473 3/20 0.40
ACE P12821 2/20 0.40
ACACB O00763 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
SRR Q9GZT4 1/20 0.40
PSAT1 Q9Y617 1/20 0.40

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
SCHEMBL18039657 1.00 MC4R (0.43) MC4RMC5RMC3RHPGDALDH1A1
SCHEMBL18039558 0.90 MME (0.43) HPGDALDH1A1MME
SCHEMBL18039561 0.90 MME (0.43) HPGDALDH1A1MME
SCHEMBL18039615 0.90 MME (0.43) HPGDALDH1A1MME
SCHEMBL18039614 0.90 MME (0.43) HPGDALDH1A1MME
SCHEMBL18039658 0.86 ALDH1A1 (0.41) MC4RMC5RMC3RALDH1A1MAPT
SCHEMBL18039656 0.86 ALDH1A1 (0.41) MC4RMC5RMC3RALDH1A1MAPT
SCHEMBL6450581 0.79 HPGD (0.46) HPGDALDH1A1MAPT
SCHEMBL24503296 0.76 SRR (0.48) PPARGPPARAMMEACEACACB
SCHEMBL30440 0.76 SRR (0.48) PPARGPPARAMMEACEACACB

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
WO-2016135751-A1 NOVEL PROCESS FOR THE PREPARATION OF SACUBITRIL AND ITS INTERMEDIATES MYLAN LABORATORIES LIMITED (IN) 2016-09-01 WO disclosed