SCHEMBL20006360

SCHEMBL20006360

CN[C@]1(CNC(C)C)C[C@@H]1CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.40
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL20005920 0.71 KMT2A (0.32)
SCHEMBL1148376 0.64 SIGMAR1 (0.68) SIGMAR1
SCHEMBL15927899 0.63 TSHR (0.37)
SCHEMBL15927924 0.62 TAAR1 (0.36)
SCHEMBL15927933 0.62 OPRM1 (0.42) SIGMAR1
SCHEMBL255309 0.61 SIGMAR1 (0.70) SIGMAR1
SCHEMBL10073905 0.61 CTSS (0.41) SLC18A2
SCHEMBL12312527 0.60 SIGMAR1 (0.71) SIGMAR1
SCHEMBL143708 0.60 SIGMAR1 (0.65) SLC18A2SIGMAR1
SCHEMBL22899588 0.60 SIGMAR1 (0.65) SLC18A2SIGMAR1

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-2940019-B1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2018-03-28 EP disclosed