SCHEMBL23966843

SCHEMBL23966843

CCc1nn(CCN2CCN(C(=O)OC(C)(C)C)CC2)c(=O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
NR2F2 P24468 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DTYMK P23919 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
ACKR3 P25106 2/20 0.45
SLC6A4 P31645 5/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 2/20 0.43
GPR4 P46093 1/20 0.43
ADORA2A P29274 1/20 0.43
PLK1 P53350 1/20 0.43

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
SCHEMBL23915630 0.90 MAPT (0.54) ALOX15NPC1LMNANR2F2HTT
SCHEMBL23914917 0.88 NPC1 (0.54) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL30976451 0.75 L3MBTL1 (0.56) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23966581 0.75 SLC6A4 (0.46) LMNASMN1; SMN2SLC6A4HTR2AHTR2C
SCHEMBL27989756 0.74 CHRM2 (0.52) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL23913676 0.73 MAPT (0.53) ALOX15NPC1LMNANR2F2HTT
SCHEMBL8242595 0.72 USP2 (0.61) NPC1LMNAHTTSMN1; SMN2CHRM2
SCHEMBL578012 0.72 KMT2A (0.57) LMNAHTTDTYMKCHRM2CHRM4
SCHEMBL29659287 0.72 KMT2A (0.57) LMNAHTTDTYMKCHRM2CHRM4
SCHEMBL30976347 0.71 MEN1 (0.69) NPC1LMNANR2F2HTTSMN1; SMN2

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed