SCHEMBL9724971

SCHEMBL9724971

[CH2][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.54
ALDH1A1 P00352 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
IDO1 P14902 1/20 0.49
CASR P41180 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
FAAH O00519 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 2/20 0.46

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
SCHEMBL9724959 0.83 GAA (0.55) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL9724796 0.82 HDAC1 (0.52) NPC1RAB9APOLBMAPK1
SCHEMBL28279152 0.82 ROCK2 (0.57) KCNQ2ALDH1A1GPR55IDO1CASR
SCHEMBL7282286 0.79 MME (0.57) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL9724808 0.79 MEN1 (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9724978 0.79 KMT2A (0.52) ALDH1A1GPR55IDO1MEN1KMT2A
SCHEMBL9724825 0.78 TSHR (0.55) ALDH1A1IDO1MEN1KMT2ANPC1
SCHEMBL6205051 0.78 ALDH1A1 (0.63) KCNQ2ALDH1A1GPR55IDO1CASR
SCHEMBL6374921 0.77 FPR2 (0.67) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL6374913 0.77 FPR2 (0.67) ALDH1A1MEN1KMT2ATAS1R3TAS1R1

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
US-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed