SCHEMBL2598433

SCHEMBL2598433

O=C1N(C2CCNCC2)CCC1(c1ccccc1)c1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.40
HTR2B P41595 5/20 0.40
HTR2A P28223 4/20 0.40
HSD11B1 P28845 1/20 0.38
CHRM3 P20309 2/20 0.36
CHRM2 P08172 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PLD1 Q13393 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
KHK P50053 1/20 0.35
NSD3 Q9BZ95 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL15847931 0.72 BACE1 (0.46) HTR2CHTR2BHTR2AMEN1ALDH1A1
SCHEMBL4598182 0.71 GRIN1 (0.36) CHRM3CHRM2GRIN1GRIN2ANSD3
SCHEMBL4198633 0.66 CHRM3 (0.70) CHRM3CHRM2
SCHEMBL22269354 0.65 OPRL1 (0.47) HTR2CHTR2B
SCHEMBL4598539 0.64 NSD3 (0.34) HTR2CHTR2BHTR2ACHRM3CHRM2
SCHEMBL13999790 0.64 MAPK1 (0.39) HTR2CHTR2BHTR2ACYP3A4TSHR
SCHEMBL13451396 0.64 HTR2C (0.43) HTR2CHTR2BHTR2AMAPK1
SCHEMBL25966765 0.64 TP53 (0.35) HTR2CHTR2BHTR2AHSD11B1
SCHEMBL5179386 0.63 GRIN1 (0.38) HTR2CHTR2BHTR2ACHRM3CHRM2
Hydrochloric Acid SCHEMBL3259793 0.63 HTR2C (0.42) HTR2CHTR2BHTR2AMAPK1

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-2571864-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146335-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2011-11-24 WO disclosed