SCHEMBL5027800

SCHEMBL5027800

[O-][N+]1(CC2CC2)CCP(Cc2ccccc2)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL4423634 0.73
SCHEMBL5030489 0.73 PLA2G1B (0.33)
SCHEMBL23286140 0.71 CALM1 (0.43) SIGMAR1
SCHEMBL5032184 0.68 TAAR1 (0.31)
SCHEMBL3078658 0.67 CALM1 (0.39) SIGMAR1
SCHEMBL674276 0.58 GBA1 (0.71) GBA1SIGMAR1
SCHEMBL2027845 0.58 GBA1 (0.71) GBA1SIGMAR1
SCHEMBL8914673 0.58 MEN1 (0.41)
Ammonia Solution, Strong SCHEMBL1432566 0.57 GBA1 (0.68) GBA1SIGMAR1
SCHEMBL1831948 0.56 HIF1A (0.41) GBA1SIGMAR1

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-1981888-A2 INHIBITORS OF TYROSINE KINASES AND USES THEREOF Pharmacyclics, Inc. (US) 2008-10-22 EP disclosed
WO-2007087068-A2 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2007-08-02 WO disclosed