SCHEMBL7982496

SCHEMBL7982496

C[C@H](Oc1ccc(-c2ccc(C#N)c(Cl)c2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.39
CYP11B1 P15538 4/20 0.39
PGK1 P00558 1/20 0.38
PTAFR P25105 3/20 0.38
AR P10275 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
CYP19A1 P11511 2/20 0.35
RORC P51449 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 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
SCHEMBL7982493 1.00 CYP11B2 (0.39) CYP11B2CYP11B1PGK1PTAFRAR
SCHEMBL7976683 0.91 CYP19A1 (0.42) CYP11B2CYP11B1PTAFRCYP19A1PPARG
SCHEMBL7976679 0.91 CYP19A1 (0.42) CYP11B2CYP11B1PTAFRCYP19A1PPARG
SCHEMBL8020645 0.91 CYP19A1 (0.42) CYP11B2CYP11B1PTAFRCYP19A1PPARG
SCHEMBL7982720 0.90 PTAFR (0.38) PTAFRARCYP19A1PPARGNCOA2
SCHEMBL7982723 0.90 PTAFR (0.38) PTAFRARCYP19A1PPARGNCOA2
SCHEMBL7979898 0.89 PGK1 (0.39) CYP11B2CYP11B1PGK1PTAFRSLC22A12
SCHEMBL7979900 0.89 PGK1 (0.39) CYP11B2CYP11B1PGK1PTAFRSLC22A12
SCHEMBL7980330 0.89 CYP11B1 (0.47) CYP11B2CYP11B1
SCHEMBL7980327 0.89 CYP11B1 (0.47) CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP claimed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO claimed
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed