SCHEMBL6897379

SCHEMBL6897379

O=C(O)C(Br)Cc1cscn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC6A3 Q01959 9/20 0.40
KDM4C Q9H3R0 1/20 0.38
CAPN1 P07384 1/20 0.38
FOLH1 Q04609 1/20 0.38
PKM P14618 1/20 0.38
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL6897376 1.00 GPR142 (0.40) GPR142KDM4ESLC6A3KDM4CCAPN1
SCHEMBL9565308 0.83 KDM4E (0.44) GPR142KDM4ESLC6A3KDM4CCAPN1
SCHEMBL5535517 0.79 GPR142 (0.40) GPR142KDM4ESLC6A3KDM4CCAPN1
SCHEMBL5907044 0.79 DPP4 (0.49) GPR142KDM4ESLC6A3PKMDPP4
SCHEMBL22193474 0.79 GPR142 (0.40) GPR142KDM4ESLC6A3KDM4CCAPN1
SCHEMBL990477 0.79 DPP4 (0.49) GPR142KDM4ESLC6A3PKMDPP4
SCHEMBL14561302 0.79 GPR142 (0.40) GPR142KDM4ESLC6A3KDM4CCAPN1
SCHEMBL990478 0.79 DPP4 (0.49) GPR142KDM4ESLC6A3PKMDPP4
Hydrochloric Acid SCHEMBL10867215 0.77 DPP4 (0.48) GPR142KDM4ESLC6A3PKMDPP4
Hydrochloric Acid SCHEMBL5733961 0.77 DPP4 (0.48) GPR142KDM4ESLC6A3PKMDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629627-B1 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL MYERS SQUIBB CO (US) 2004-05-06 EP disclosed
CN-1046525-C Compounds containing a fused bicyclic ring and processes therefor BRISTOL MYERS SQUIBB CO (US) 1999-11-17 CN disclosed
US-5756832-A REACTING AN ALDHYDE WITH AN ORTHOFORMATE IN THE PRESENCE OF AN ACID CATALYST AND AN ALCOHOL BRISTOL-MYERS SQUIBB CO. (US) 1998-05-26 US disclosed
US-5672599-A DUAL ACTION ANGIOTENSIN CONVERTING ENZYME INHIBITORS AND NEUTRAL ENDOPEPTIDASE INHIBITORS; TREATMENT OF CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-09-30 US disclosed
US-5670699-A Process for preparing amino acid esters useful as intermediates for compounds containing a fused bicyclic ring BRISTOL-MYERS SQUIBB CO. (US) 1997-09-23 US disclosed
US-5627278-A MULTISTAGE REACTION FORMED BY AMIDATION, COUPLING AND REDUCTION BRISTOL-MYERS SQUIBB CO. (US) 1997-05-06 US disclosed
US-5616775-A ESTERIFYING A N-PROTECTED METHIONINE; OXIDIZING; REACTING WITH AN ACID ANHYDRIDE THEN AN ALKALI METAL HYDROXIDE BRISTOL-MYERS SQUIBB CO. (US) 1997-04-01 US disclosed
US-5508272-A SELECTIVE ACE INHIBITORS, HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-16 US disclosed
CN-1099392-A Compounds containing a fused bicyclic ring and processes therefor BRISTOL MYERS SQIBB COMPANY (US) 1995-03-01 CN disclosed
EP-0629627-A2 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 EP disclosed