SCHEMBL20153316

SCHEMBL20153316

Cc1cncc(N2CCC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.43
CYP11B1 P15538 7/20 0.43
CHRNB2 P17787 3/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
CHRNA4 P43681 3/20 0.39
GRM4 Q14833 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 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
SCHEMBL20153317 0.90 LMNA (0.48) CYP11B2CYP11B1LMNAL3MBTL1
SCHEMBL5605334 0.79 POLB (0.46) LMNAL3MBTL1POLB
SCHEMBL16872338 0.79 NPC1 (0.47) CYP11B2CYP11B1CHRNB2CHRNB4CHRNA3
SCHEMBL21282908 0.78 CCR6 (0.45) CYP11B2CYP11B1
SCHEMBL17828142 0.78 CHRNB2 (0.38) CYP11B2CYP11B1CHRNB2CHRNA4
SCHEMBL14950000 0.75 CYP11B2 (0.45) CYP11B2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9564052 0.73 L3MBTL1 (0.62) L3MBTL1
SCHEMBL14992172 0.72 CYP11B2 (0.68) CYP11B2CYP11B1
SCHEMBL2710657 0.71 ALOX5 (0.48) LMNA
SCHEMBL22573887 0.70 CYP11B2 (0.50) CYP11B2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
EP-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089360-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed