SCHEMBL21170330

SCHEMBL21170330

Cc1cnc(N2CCC(C)CC2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.45
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMO Q99835 1/20 0.41
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL17696414 0.83 POLB (0.43) OPRK1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL12038024 0.81 OPRK1 (0.44) OPRK1PKMHTTALDH1A1MAPT
SCHEMBL19967034 0.81 KDM4E (0.50) OPRK1HTTLMNASMN1; SMN2HPGD
SCHEMBL24969948 0.80 HRH4 (0.51) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL12267527 0.79 POLB (0.66) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL2544335 0.79 CHRNB2 (0.54)
SCHEMBL765394 0.79 LRRK2 (0.44) OPRK1KMT2AMEN1NPSR1
SCHEMBL3690660 0.78 KMT2A (0.49) KMT2AMEN1LMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL30903327 0.77 CHRNB2 (0.53)
SCHEMBL14853344 0.74 KMT2A (0.44) KMT2AMEN1PKMMAPT

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-3511332-A1 NOVEL 2-ACYLAMINOTHIAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2019-07-17 EP disclosed