SCHEMBL19150883

SCHEMBL19150883

CCC(=O)Nc1cncnc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
ATR Q13535 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
AHR P35869 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
RORC P51449 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
EGFR P00533 4/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
NOD2 Q9HC29 1/20 0.37

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
SCHEMBL19116505 0.85 SMN1; SMN2 (0.42) POLBKMT2AATRALDH1A1SMN1; SMN2
SCHEMBL22560729 0.85 HTT (0.43) HTTATRSMN1; SMN2MAPTOPRM1
SCHEMBL30421445 0.83 ATR (0.40) KMT2AATRALDH1A1SMN1; SMN2RORC
SCHEMBL19151017 0.80 PKM (0.39) HTTKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL26789533 0.80 LMNA (0.40) HTTKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL26789788 0.78 HTT (0.43) HTTPOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL26789781 0.78 HTT (0.43) HTTPOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL19151090 0.76 KDR (0.47) HTTPOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL12182365 0.76 BRD4 (0.50) HTTATRALDH1A1SMN1; SMN2MAPT
SCHEMBL26789791 0.76 POLB (0.47) HTTPOLBKMT2AALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed