SCHEMBL20730852

SCHEMBL20730852

CC(C)CCCNCc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 3/20 0.52
SCN8A Q9UQD0 1/20 0.51
MITF O75030 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
GPR35 Q9HC97 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MPO P05164 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HPGD P15428 1/20 0.46
FOLH1 Q04609 1/20 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
SCHEMBL21800033 0.82 CHRM2 (0.46) CHRM2L3MBTL1LMNACYP2D6
SCHEMBL20850656 0.81 MAOA (0.64) CHRM2L3MBTL1SCN8AMPOHDAC3
SCHEMBL10045186 0.81 CHRM2 (0.88) CHRM2L3MBTL1LMNASCN8AMPO
SCHEMBL24850510 0.79 L3MBTL1 (0.47) CHRM2L3MBTL1SCN8AMAPK1NPSR1
SCHEMBL10045185 0.79 CHRM2 (0.92) CHRM2L3MBTL1LMNASCN8AMPO
SCHEMBL14262442 0.77 SCN8A (0.50) CHRM2LMNASCN8AMITFCYP2D6
SCHEMBL25481133 0.77 CHRM2 (0.73) CHRM2LMNAHDAC3HDAC1HDAC2
SCHEMBL170986 0.77 LMNA (0.64) CHRM2L3MBTL1LMNAMITFCNR1
SCHEMBL8613857 0.77 CHRM2 (0.67) CHRM2L3MBTL1LMNASCN8AMPO
SCHEMBL16522409 0.76 MAOA (0.68) CHRM2L3MBTL1SCN8AHDAC3HDAC1

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-2019032941-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-02-14 WO disclosed