SCHEMBL15030186

SCHEMBL15030186

CS[C@H]1OC(C(N)[C@H](C)O)C(O)[C@H](O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2C P28335 1/20 0.30
FUCA1 P04066 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
SCHEMBL4870408 1.00 ALB (0.39) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL15030386 1.00 ALB (0.39) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL15030180 1.00 ALB (0.39) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL4864190 1.00 ALB (0.39) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL16230833 1.00 ALB (0.39) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL24047304 1.00 ALB (0.39) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL16230830 1.00 ALB (0.39) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL16230585 1.00 ALB (0.39) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL5519614 1.00 ALB (0.39) ALBLMNACYP2C9HTR2AADRA1A
SCHEMBL16230573 1.00 ALB (0.39) ALBLMNACYP2C9HTR2AADRA1A

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-2809156-B1 ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR) UNIV TEXAS (US) 2017-05-24 EP disclosed
WO-2013086266-A2 ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-13 WO disclosed