SCHEMBL1709411

SCHEMBL1709411

C=C(O)C[C@@H]1CC[C@@H](N(CC2CCCCC2)CC2CCCCC2)[C@H](c2cc(F)cc(F)c2)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL10033138 0.88 SIGMAR1 (0.42) SIGMAR1
SCHEMBL1709502 0.82 ESR2 (0.35) SIGMAR1
SCHEMBL10033139 0.81 SIGMAR1 (0.39) SIGMAR1
SCHEMBL1709443 0.81 HTR2C (0.34) SIGMAR1
SCHEMBL1709403 0.81 HTR2C (0.34) SIGMAR1
SCHEMBL1709404 0.81 HTR2C (0.34) SIGMAR1
SCHEMBL10033140 0.81 OPRM1 (0.32)
SCHEMBL1709413 0.80 MDM2 (0.41)
SCHEMBL1709494 0.80 HTR2C (0.35)
SCHEMBL10032986 0.80 KDM1A (0.34)

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
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed