SCHEMBL24317427

SCHEMBL24317427

CCC1NCCc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.42
PRCP P42785 3/20 0.42
SLC22A1 O15245 1/20 0.40
CYP2D6 P10635 4/20 0.38
OPRM1 P35372 2/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 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
SCHEMBL31569336 0.78 RECQL (0.39) CXCR4PRCPCYP2D6RECQLKDM4E
SCHEMBL1011519 0.78 RECQL (0.39) CXCR4PRCPCYP2D6RECQLKDM4E
SCHEMBL14159530 0.75 HTR2A (0.33)
SCHEMBL31569143 0.74 PRCP (0.39) CXCR4PRCPSLC22A1CYP2D6OPRM1
SCHEMBL24019184 0.74 PRCP (0.58) CXCR4PRCPCYP2D6RECQLFNTA
SCHEMBL27420117 0.74 FNTA (0.38) CXCR4PRCPCYP2D6RECQLFNTA
SCHEMBL12483568 0.74 BCHE (0.52) KDM4EGAAMAPTHTT
Hydrochloric Acid SCHEMBL4794231 0.73 HTR2A (0.35)
SCHEMBL1011090 0.73 PRCP (0.68) PRCPSLC22A1OPRM1KDM4EGAA
SCHEMBL29768301 0.73 PRCP (0.68) PRCPSLC22A1OPRM1KDM4EGAA

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-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed