SCHEMBL1127064

SCHEMBL1127064

COC(=O)Cn1ccc(CC(C)C)c1C1(Nc2ccc(N3CCN(c4cc(C)cc(C)n4)CC3)cc2)CCCCO1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
RGS12 O14924 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GFER P55789 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
SCHEMBL1126441 0.79 TSHR (0.38) TSHRRGS12SMN1; SMN2GFER
SCHEMBL1127950 0.71 MAPT (0.35) TSHRRGS12SMN1; SMN2GFER
SCHEMBL1126771 0.68 GFER (0.37) TSHRRGS12SMN1; SMN2GFER
SCHEMBL1126854 0.67 GFER (0.39) TSHRRGS12SMN1; SMN2GFER
SCHEMBL1126589 0.67 LMNA (0.39) TSHRRGS12SMN1; SMN2GFER
SCHEMBL15163665 0.67 ADORA2A (0.32) TSHRSMN1; SMN2
SCHEMBL1127551 0.65 NPC1 (0.37) TSHRRGS12SMN1; SMN2GFER
SCHEMBL1126437 0.63 TSHR (0.37) TSHRRGS12SMN1; SMN2GFER
SCHEMBL1126557 0.63 LMNA (0.39) TSHRRGS12SMN1; SMN2GFER
SCHEMBL1987403 0.61 ALDH1A1 (0.40) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed