SCHEMBL8310253

SCHEMBL8310253

Sc1ccc(C2=CCNCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.66
QDPR P09417 3/20 0.66
SIGMAR1 Q99720 2/20 0.66
NAMPT P43490 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTR2A P28223 1/20 0.41
HTR6 P50406 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL19998281 0.79 HTR2C (0.66) HTR2CQDPRSIGMAR1NAMPTHRH3
SCHEMBL531984 0.79 SIGMAR1 (1.00) HTR2CQDPRSIGMAR1HTR2AHTR6
SCHEMBL8380936 0.79 QDPR (1.00) HTR2CQDPRSIGMAR1NAMPT
SCHEMBL1199051 0.79 HTR2C (1.00) HTR2CQDPRSIGMAR1NAMPTHRH3
SCHEMBL5603685 0.79 HTR2C (0.66) HTR2CQDPRSIGMAR1NAMPTHRH3
SCHEMBL4671168 0.79 HTR2C (0.66) HTR2CQDPRSIGMAR1HTR2AHTR6
SCHEMBL3899585 0.79 SIGMAR1 (0.92) HTR2CQDPRSIGMAR1NAMPTHTR2A
SCHEMBL532892 0.79 HTR2C (0.66) HTR2CQDPRSIGMAR1HTR2AHTR6
SCHEMBL415545 0.78 SIGMAR1 (1.00) HTR2CQDPRSIGMAR1HTR2AHTR6
Hydrochloric Acid SCHEMBL25217174 0.78 HTR2C (1.00) HTR2CQDPRSIGMAR1HTR2AHTR6

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-3241823-B1 PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF HITGEN LTD (CN) 2019-04-17 EP disclosed
WO-2004080460-A1 SUBSTITUTED PIPERIDINES AS NOVEL MDM2-p53 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO disclosed