SCHEMBL11178015

SCHEMBL11178015

COC(=O)C(CCCCCCc1cccc2[nH]c(-c3cccnc3)c(C)c12)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PARP1 P09874 1/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 0.38

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
SCHEMBL11167292 0.91 CYP11B1 (0.46) CYP11B1CYP11B2MTNR1AMTNR1BPARP1
SCHEMBL11164908 0.86 CYP11B1 (0.45) CYP11B1CYP11B2MTNR1AMTNR1BPARP1
SCHEMBL5146760 0.82 TBXAS1 (0.47) CYP11B1CYP11B2PARP1
SCHEMBL11167375 0.82 TBXAS1 (0.47) CYP11B1CYP11B2PARP1
SCHEMBL11174681 0.82 CYP11B1 (0.51) CYP11B1CYP11B2MTNR1AMTNR1BPARP1
SCHEMBL11167802 0.82 CYP11B1 (0.45) CYP11B1CYP11B2MTNR1APARP1HDAC1
SCHEMBL11172992 0.81 CYP11B1 (0.48) CYP11B1CYP11B2PARP1TUBB4ATUBB
SCHEMBL11164579 0.81 CYP11B1 (0.52) CYP11B1CYP11B2PARP1TUBB4ATUBB
SCHEMBL11175985 0.79 CYP11B1 (0.48) CYP11B1CYP11B2MTNR1AMTNR1BPARP1
SCHEMBL11162993 0.79 CYP11B1 (0.43) CYP11B1CYP11B2PARP1TUBB4ATUBB

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-0080154-A2 N-substituted 2-pyridyl indoles, process for their preparation, pharmaceutical compositions containing them, and their therapeutical use CIBA-GEIGY AG (CH) 1983-06-01 EP disclosed