SCHEMBL28041525

SCHEMBL28041525

COCO[C@@H](C)[C@@H](NC(=O)O)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.39
CASP1 P29466 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CXCL8 P10145 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LPAR1 Q92633 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
SCHEMBL28041541 0.85 KDM4E (0.36) MEN1POLBKMT2AALDH1A1
SCHEMBL15067314 0.85 POLB (0.41) CTSACASP1ADRB2ADRB1MEN1
SCHEMBL28041744 0.85 CASP1 (0.40) CTSACASP1MEN1KMT2AOPRM1
SCHEMBL28041588 0.84 CNR2 (0.41) CTSAMEN1KMT2AALDH1A1
SCHEMBL28478888 0.78 LPAR1 (0.41) CTSACASP1ADRB2ADRB1MEN1
SCHEMBL28990607 0.78 LPAR1 (0.41) CTSACASP1ADRB2ADRB1MEN1
SCHEMBL11244690 0.78 CXCL8 (0.44) CTSACASP1ADRB2ADRB1MEN1
SCHEMBL15067442 0.77 ADRB2 (0.45) CTSACASP1ADRB2ADRB1CXCL8
SCHEMBL15067585 0.77 ADRB2 (0.45) CTSACASP1ADRB2ADRB1CXCL8
SCHEMBL15067895 0.77 ADRB2 (0.45) CTSACASP1ADRB2ADRB1CXCL8

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
CN-111419830-B Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epileptic related syndromes 比皮艾思药物研发有限公司 2024-01-30 CN disclosed
CN-115996905-A Phenylalkyl carbamate compounds for use in preventing or treating neurodegenerative diseases 生物药品解决方案有限公司 2023-04-21 CN disclosed
CN-111419830-A Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epilepsy-related syndromes 比皮艾思药物研发有限公司 2020-07-17 CN disclosed
CN-105209027-A Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epilepsy-related syndromes BIO PHARM SOLUTIONS CO LTD 2015-12-30 CN disclosed