SCHEMBL22100987

SCHEMBL22100987

O=C(O)[C@@H]1CCCC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
BTK Q06187 1/20 0.42
TSHR P16473 4/20 0.41
SLC6A1 P30531 2/20 0.41
SLC6A11 P48066 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
GABRR1 P24046 1/20 0.40
EPHX2 P34913 1/20 0.40
ACE P12821 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37

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
SCHEMBL2844280 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL3939408 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL2183635 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL4748647 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL404285 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL3670041 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL5432415 1.00 ANPEP (0.42) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL5428215 0.98 ANPEP (0.41) ANPEPBTKTSHRSLC6A1SLC6A11
Cesium SCHEMBL5428219 0.98 ANPEP (0.41) ANPEPBTKTSHRSLC6A1SLC6A11
SCHEMBL9729349 0.95 TSHR (0.43) ANPEPBTKTSHRSLC6A1SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed
CN-112041316-A Isoxazole O-linked carbamoylcyclohexanoic acids as LPA antagonists 百时美施贵宝公司 2020-12-04 CN disclosed
EP-3738954-A1 METHOD OF PREPARATION OF SUBSTITUTED 2,4-DIAMINO-PYRIMIDINE-5-CARBOXAMIDES Signal Pharmaceuticals, LLC (US) 2020-11-18 EP disclosed
EP-3728210-A1 ISOXAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 EP disclosed
EP-3099302-B1 CRYSTALLINE FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE SIGNAL PHARM LLC (US) 2020-06-17 EP disclosed