SCHEMBL7333354

SCHEMBL7333354

O=C(Cl)[C@H]1CCCN1C(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACE P12821 3/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL247604 1.00 LMNA (0.41) LMNACYP2C19HSD17B10ACECA12
SCHEMBL2036130 1.00 LMNA (0.41) LMNACYP2C19HSD17B10ACECA12
SCHEMBL11644333 0.86 LMNA (0.40) LMNACYP2C19HSD17B10ACECA12
SCHEMBL7380987 0.83 LMNA (0.58) LMNACYP2C19HSD17B10ACE
SCHEMBL1681427 0.83 LMNA (0.58) LMNACYP2C19HSD17B10ACE
SCHEMBL1681430 0.83 LMNA (0.58) LMNACYP2C19HSD17B10ACE
SCHEMBL9256608 0.83 LMNA (0.38) LMNACYP2C19HSD17B10ACECA12
SCHEMBL16393157 0.81 DPP4 (0.42) LMNACYP2C19HSD17B10ACE
SCHEMBL5751144 0.81 DPP4 (0.42) LMNACYP2C19HSD17B10ACE
SCHEMBL13196020 0.81 LMNA (0.45) LMNACYP2C19HSD17B10ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117098990-A Method for detecting isomeric steroids using differential mobility spectrometry DH科技发展私人贸易有限公司 2023-11-21 CN claimed
CN-117098990-A Method for detecting isomeric steroids using differential mobility spectrometry DH科技发展私人贸易有限公司 2023-11-21 CN disclosed
WO-2013103841-A1 METHODS FOR QUANTITATIVE CHIRAL DETERMINATION OF THE d- AND l- ENANTIOMERS OF AMPHETAMINE AND METHAMPHETAMINE CLINICAL REFERENCE LABORATORY, INC. (US) 2013-07-11 WO disclosed
US-20130177994-A1 METHODS FOR QUANTITATIVE CHIRAL DETERMINATION OF THE d- AND l- ENANTIOMERS OF AMPHETAMINE AND METHAMPHETAMINE CLINICAL REFERENCE LABORATORY, INC. (US) 2013-07-11 US disclosed
US-20020187562-A1 Materials for separating and detecting enantiomers of amphetamine or methamphetamine, and their application LUA AHAI-CHANG (TW) 2002-12-12 US disclosed
US-5936098-A Process for producing indoline compounds and intermediates for the production of the same TOKYO TANABE COMPANY LIMITED (JP) 1999-08-10 US disclosed
EP-0810214-A1 PROCESS FOR PRODUCING INDOLINE COMPOUNDS AND INTERMEDIATES FOR THE PRODUCTION OF THE SAME TOKYO TANABE COMPANY LIMITED (JP) 1997-12-03 EP disclosed
EP-0677041-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
EP-0677041-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1995-08-29 EP disclosed
WO-1994015913-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-21 WO disclosed
US-4091029-A RESOLVING AGENT FOR RACEMIC MIXTURES ELI LILLY AND COMPANY (US) 1978-05-23 US disclosed
US-3972925-A RESOLUTION AGENT ELI LILLY AND COMPANY (US) 1976-08-03 US disclosed