SCHEMBL13586012

SCHEMBL13586012

CN(C)C(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)Cc4c[nH]c5ccccc45)CC2)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
TACR1 P25103 1/20 0.42
TACR3 P29371 1/20 0.42
CDK4 P11802 7/20 0.40
CCND1 P24385 7/20 0.40
CDK2 P24941 3/20 0.40
ECE1 P42892 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
OPRK1 P41145 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4532282 0.93 GLA (0.46) HDAC1CDK4CCND1CDK2HTR1A
SCHEMBL13586274 0.82 CTSC (0.36) HTR1AHTR2CLMNA
SCHEMBL4353770 0.81 NPY2R (0.42) HTR1AALDH1A1
SCHEMBL4351462 0.81 HTR1A (0.40) HTR1ACYP2D6ALDH1A1LMNA
SCHEMBL4355465 0.80 HTR1A (0.35) HTR1ACYP2D6ALDH1A1LMNA
SCHEMBL4538463 0.80 NPY2R (0.39) HTR1ACYP2D6ALDH1A1LMNA
SCHEMBL13586016 0.79 SMN1; SMN2 (0.43) HTR2BALDH1A1MAPTRAB9ALMNA
SCHEMBL13586042 0.79 CYP3A4 (0.38) HTR1ACYP2D6ALDH1A1MAPTLMNA
SCHEMBL4541603 0.78 GPR142 (0.48) OPRK1CYP2D6
SCHEMBL4351631 0.77 ALDH1A1 (0.40) HTR1AALDH1A1LMNASMN1; SMN2

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed