SCHEMBL7917850

SCHEMBL7917850

CC1(CC#N)CCc2c(Br)cccc2C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT1 Q99873 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
BACE1 P56817 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
SCHEMBL12229339 0.81 ABHD6 (0.32) CARM1PRMT6PRMT1ABHD6BACE1
SCHEMBL14123611 0.75 ABHD6 (0.34) CARM1PRMT6PRMT1ABHD6
SCHEMBL15545247 0.75 CES1 (0.41) CARM1PRMT6PRMT1ABHD6
SCHEMBL30421685 0.75 CES1 (0.41) CARM1PRMT6PRMT1ABHD6
SCHEMBL7918142 0.73 BACE1 (0.33) BACE1
SCHEMBL30842183 0.70 SIGMAR1 (0.35) CARM1PRMT6PRMT1ABHD6
SCHEMBL12789684 0.69 ADRA2A (0.32) CARM1PRMT6PRMT1ABHD6
SCHEMBL21936820 0.68 ABHD6 (0.33) CARM1PRMT6PRMT1ABHD6
SCHEMBL19045926 0.68 ADRA2A (0.37) ALDH1A1MAPT
SCHEMBL30842146 0.67 SIGMAR1 (0.33) CARM1PRMT6PRMT1KDM4EABHD6

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-2010042473-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed