SCHEMBL1582298

SCHEMBL1582298

O=C(O)N1CCC(CCCc2nccs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.41
POLB P06746 1/20 0.40
GRIN2B Q13224 1/20 0.39
FAAH O00519 9/20 0.38
TSHR P16473 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5445200 0.79 FAAH (0.55) POLBGRIN2BFAAHTSHRCYP2D6
SCHEMBL12811680 0.73 ALDH1A1 (0.51)
SCHEMBL4433461 0.72 L3MBTL3 (0.38) GRIN2BTSHR
SCHEMBL3897364 0.72 GRIN2B (0.67) POLBGRIN2BCYP2D6SMN1; SMN2
SCHEMBL2228534 0.72 GRIN2B (0.52) GRIN2BFAAHCYP2D6CYP3A4
SCHEMBL9051255 0.72 SLC18A3 (0.58) POLBFAAHHDAC3HDAC4HDAC1
SCHEMBL209379 0.72 TSHR (0.59) TSHRCYP2D6CYP3A4USP2SMN1; SMN2
SCHEMBL5560190 0.71 CHRM5 (0.45) CHRM5POLBTSHRCYP2D6
SCHEMBL4860168 0.70 POLB (0.49) CHRM5POLBTSHRSMN1; SMN2
SCHEMBL3867303 0.70 KDM4E (0.44) GRIN2BFAAHCYP2D6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720872-B1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2011-04-20 EP disclosed
EP-1720872-A1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090347-A1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed