SCHEMBL7320632

SCHEMBL7320632

O=C[C@@H]1CSNC1C(=O)CCC(=O)NCc1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
NLN Q9BYT8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MC4R P32245 2/20 0.36
MC5R P33032 2/20 0.36
IDO1 P14902 1/20 0.36
FFAR1 O14842 1/20 0.35
MCHR1 Q99705 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
FAAH O00519 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
MC3R P41968 1/20 0.34

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
SCHEMBL7323963 0.87 GAA (0.46) ALDH1A1
SCHEMBL7316776 0.84 P2RX7 (0.40)
SCHEMBL7366313 0.83 PDPK1 (0.40) HDAC1HDAC8FFAR1HCAR2
SCHEMBL7320272 0.83 HPGD (0.44) TPSAB1ALDH1A1
SCHEMBL7317314 0.83 NPC1 (0.44) TPSAB1ALDH1A1
SCHEMBL7321818 0.82 KMT2A (0.46) ALDH1A1
SCHEMBL7319185 0.80 HDAC3 (0.46) TPSAB1HDAC3HDAC1HDAC2HDAC8
SCHEMBL7318502 0.80 SLC6A2 (0.39) MC4RMC3R
SCHEMBL7319686 0.72 MAPT (0.45)
SCHEMBL7320636 0.72 TPSAB1 (0.40) TPSAB1HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280956-B1 THIAZOLIDINE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1992-10-21 EP claimed
US-4857537-A PREVENTING AMNESIA ONO PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US claimed
EP-0280956-A1 Thiazolidine derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP claimed
US-4857537-A PREVENTING AMNESIA ONO PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed