SCHEMBL13565484

SCHEMBL13565484

CC(C)(C)S(=O)(=O)NC1CCC(CNc2cnc3ccccc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.45
▸ MCHR1 Q99705 2/20 0.44
▸ HPGDS O60760 1/20 0.43
▸ CNR2 P34972 4/20 0.42
▸ CNR1 P21554 3/20 0.42
▸ SLC22A12 Q96S37 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ALPL P05186 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MALT1 Q9UDY8 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ADRA2A P08913 1/20 0.40

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
SCHEMBL17090476 1.00 MET (0.45) METMCHR1HPGDSCNR2CNR1
SCHEMBL13565703 0.86 NR3C1 (0.42) METMCHR1CNR2ALDH1A1LMNA
SCHEMBL11936220 0.86 NR3C1 (0.42) METMCHR1CNR2ALDH1A1LMNA
SCHEMBL13565676 0.85 MET (0.45) METMCHR1HPGDSALDH1A1ALPL
SCHEMBL13565722 0.82 MET (0.43) METMCHR1HPGDSCNR2CNR1
SCHEMBL11935223 0.80 CRHR1 (0.44) MCHR1CNR2CNR1ALDH1A1KMT2A
SCHEMBL13438902 0.80 CRHR1 (0.44) MCHR1CNR2CNR1ALDH1A1KMT2A
SCHEMBL10113220 0.80 EPHX2 (0.58) HPGDSCNR2CNR1KDM4ELMNA
SCHEMBL13203770 0.80 EPHX2 (0.58) HPGDSCNR2CNR1KDM4ELMNA
SCHEMBL13565617 0.79 MET (0.40) METMCHR1CNR2KDM4ERAB9A

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-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 — — US disclosed
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