SCHEMBL13435805

SCHEMBL13435805

CNC(=O)OCC1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CHRM1 P11229 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRNA7 P36544 1/20 0.39
EPHX1 P07099 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
APEX1 P27695 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38

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
SCHEMBL8392246 0.96 LMNA (0.47) LMNACHRM1CHRNB2CHRNA4CHRM2
SCHEMBL8393968 0.94 LMNA (0.50) LMNACHRM1CHRNB2CHRNA4CHRM2
SCHEMBL8392753 0.94 LMNA (0.50) LMNACHRM1CHRNB2CHRNA4CHRM2
SCHEMBL1752416 0.91
SCHEMBL24996613 0.89 LMNA (0.37) LMNACHRM1CHRNB2CHRNA4CHRM2
SCHEMBL12184829 0.82 HDAC3 (0.43) LMNACHRM1CHRNB2CHRNA4CHRM2
SCHEMBL24441491 0.80 EPHX1 (0.50) LMNACHRNB2CHRNA4EPHX1SMN1; SMN2
SCHEMBL24112751 0.80 PSEN1 (0.44) LMNACHRM1CHRNB2CHRNA4CHRM2
SCHEMBL25284961 0.79 MEN1 (0.42) LMNAEPHX1SMN1; SMN2SLC1A3SLC1A2
SCHEMBL13966786 0.78 TSHR (0.38) LMNACHRM1CHRNB2CHRNA4CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3852746-B1 CYCLOPENTYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-03-29 EP disclosed
WO-2022100624-A1 OXY-SUBSTITUTED AMINOCARBONATE THIOPHENE-BASED COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-19 WO disclosed
EP-3986551-A1 TRIAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-04-27 EP disclosed
EP-3986553-A1 CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-04-27 EP disclosed
EP-3852746-A1 CYCLOPENTYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2021-07-28 EP disclosed
WO-2020257139-A1 CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-24 WO disclosed
WO-2020257135-A1 TRIAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-24 WO disclosed
WO-2020060915-A1 CYCLOPENTYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-26 WO disclosed
EP-3472148-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2019-04-24 EP disclosed
WO-2017223016-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-28 WO disclosed
EP-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 EP disclosed