SCHEMBL12101075

SCHEMBL12101075

Cc1cc(C(=O)N2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cs1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.53
▸ HPGD P15428 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ SCD5 Q86SK9 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP3A4 P08684 6/20 0.42
▸ USP2 O75604 3/20 0.41
▸ CYP2C19 P33261 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MGLL Q99685 1/20 0.40

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
SCHEMBL2142828 0.81 HPGD (0.55) ACACBHPGDMAPK1SCD5USP2
SCHEMBL20411482 0.76 MGLL (0.65) ACACBSCD5MEN1KMT2ATSHR
SCHEMBL16678850 0.75 USP2 (0.49) ACACBHPGDSCD5CYP3A4USP2
SCHEMBL15171024 0.74 SPR (0.61) SCD5CYP3A4CYP11B2
SCHEMBL23906185 0.73 CYP11B2 (0.52) ACACBHPGDSCD5USP2CYP11B2
SCHEMBL25275679 0.73 CYP11B2 (0.52) ACACBHPGDSCD5USP2CYP11B2
SCHEMBL25052826 0.73 HPGD (0.46) ACACBHPGDSCD5MEN1KMT2A
SCHEMBL14240265 0.73 HPGD (0.46) ACACBHPGDSCD5MEN1KMT2A
SCHEMBL24112531 0.72 CYP11B2 (0.51) ACACBHPGDSCD5USP2CYP11B2
SCHEMBL18390388 0.71 USP2 (0.50) ACACBHPGDSCD5CYP3A4USP2

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-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 — — EP disclosed
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