SCHEMBL7996650

SCHEMBL7996650

Cc1ccccc1CNC(=O)[C@@H]1CCCN1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.72
HTR2C P28335 6/20 0.54
HTR2B P41595 4/20 0.54
P2RX7 Q99572 1/20 0.51
KDM4E B2RXH2 1/20 0.50
SCN4A P35499 1/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR2A P28223 1/20 0.47
PRCP P42785 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7996653 1.00 GID4 (0.72) GID4HTR2CHTR2BP2RX7KDM4E
SCHEMBL18019717 0.84 PKM (0.57) GID4HTR2CHTR2BP2RX7HPGD
SCHEMBL8304059 0.82 HTR2C (0.55) GID4HTR2CHTR2BP2RX7KDM4E
SCHEMBL8304057 0.82 HTR2C (0.55) GID4HTR2CHTR2BP2RX7KDM4E
SCHEMBL3855999 0.81 GID4 (0.54) GID4HTR2CHTR2BKDM4EHPGD
SCHEMBL3856002 0.81 GID4 (0.54) GID4HTR2CHTR2BKDM4EHPGD
SCHEMBL6054528 0.81 GID4 (0.54) GID4HTR2CHTR2BP2RX7KDM4E
SCHEMBL27818505 0.81 GID4 (0.56) GID4HTR2CHTR2BP2RX7KMT2A
SCHEMBL5154669 0.80 HTR2C (0.77) GID4HTR2CHTR2BKDM4EHPGD
SCHEMBL1789145 0.80 HTR2C (0.77) GID4HTR2CHTR2BKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291432-B1 (R)-N-(2-METHYLBENZYL)-3-((2S, 3S)-3-(N-(2-CHROMONECARBONYL)-L-ASPARAGINYL)AMINO-2-HYDROXY-4-PHENYLBUTANO YL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE CAN BE GIVEN AS A TYPICAL EXAMPLE OF THIS COMPOUND. JAPAN ENERGY CORPORATION (JP) 2001-09-18 US disclosed
EP-0900566-A1 NOVEL TRIPEPTIDE COMPOUNDS AND ANTI-AIDS DRUGS JAPAN ENERGY CORPORATION (JP) 1999-03-10 EP disclosed