SCHEMBL21883492

SCHEMBL21883492

CC1(C)CCCC(C(=O)Cl)CC(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
DPP4 P27487 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL21474585 0.83 HSD11B1 (0.42) APLNRHSD11B1
SCHEMBL21474584 0.77 HSD11B1 (0.43) APLNRHSD11B1
SCHEMBL19933348 0.77 HSD11B1 (0.39) APLNRHSD11B1
SCHEMBL8933185 0.74 APLNR (0.44) APLNRHSD11B1
SCHEMBL11285851 0.73
SCHEMBL23457777 0.72 APLNR (0.43) APLNRHSD11B1
SCHEMBL715584 0.72 APLNR (0.43) APLNRHSD11B1
SCHEMBL30879578 0.72 APLNR (0.43) APLNRHSD11B1
SCHEMBL4600499 0.72 APLNR (0.60) APLNRHSD11B1
SCHEMBL19121536 0.71 HSD11B1 (0.35) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736885-B1 QUINOLINE-, QUINOXALINE OR BENZOTHIAZOLE BASED CYSTEINYL LEUKOTRIENE ANTAGONISTS (LTC4) SUN PHARMA ADVANCED RES CO LTD (IN) 2020-03-25 EP disclosed