SCHEMBL22819545

SCHEMBL22819545

CNc1ccc2c(NC(C)=O)cccc2c1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.43
PARP14 Q460N5 3/20 0.43
CASP6 P55212 1/20 0.42
GPR35 Q9HC97 1/20 0.40
MAOA P21397 1/20 0.40
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
IDO1 P14902 2/20 0.38
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38

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
SCHEMBL21387943 0.82 RXFP1 (0.58) RXFP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL1900214 0.79 RXFP1 (0.66) RXFP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL13757702 0.76 PARP14 (0.55) RXFP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL18814515 0.73 ALDH1A1 (0.62) RXFP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL29191666 0.71 PARP14 (0.49) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL18097910 0.71 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL1805658 0.71 RXFP1 (0.56) RXFP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL8923243 0.71 ALDH1A1 (0.66) RXFP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL1122552 0.71 TRPV1 (0.58) RXFP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL9607557 0.70 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EPARP14MAOA

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-2020254322-A1 NEW TRICYCLIC 5-HT2 ANTAGONISTS ANAMAR AB (SE) 2020-12-24 WO disclosed