SCHEMBL9156594

SCHEMBL9156594

O=C(O)Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N2CCCCC2c2ccccc2)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.43
PARP14 Q460N5 1/20 0.41
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
EPHX2 P34913 2/20 0.38
HPSE Q9Y251 1/20 0.37
CCKBR P32239 2/20 0.36
USP30 Q70CQ3 1/20 0.36
NPY1R P25929 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
CCKAR P32238 1/20 0.36

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
SCHEMBL9160617 0.93 PPID (0.43) PPIDPARP14PRMT5WDR77CPT2
SCHEMBL9157922 0.88 PRMT5 (0.47) PPIDPARP14PRMT5WDR77CPT2
SCHEMBL9156611 0.86 ALDH1A1 (0.45) PPIDPRMT5WDR77EPHX2
SCHEMBL9158560 0.78 MEN1 (0.46) PRMT5WDR77EPHX2CCKBR
SCHEMBL9158391 0.76 HPSE (0.46) HPSE
SCHEMBL29422582 0.76 HPSE (0.46) HPSE
SCHEMBL8870350 0.76 HPSE (0.47) HPSECCKBRUSP30
SCHEMBL8870354 0.76 HPSE (0.47) HPSECCKBRUSP30
SCHEMBL9156791 0.74 RIPK1 (0.44) PPIDPARP14PRMT5WDR77EPHX2
SCHEMBL9152718 0.73 PPID (0.39) PPIDPRMT5WDR77EPHX2

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-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed