SCHEMBL24393093

SCHEMBL24393093

CNC1CCN(c2ncnn3c(-c4ccc(OC)cc4)cc(C)c23)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 4/20 0.43
▸ KIT P10721 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ EGLN2 Q96KS0 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ PAK1 Q13153 1/20 0.38

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
SCHEMBL24393095 0.82 HRH4 (0.38) PDE2A
SCHEMBL24392257 0.81 PDE2A (0.39) PDE2AKITKDM4EALDH1A1GAA
SCHEMBL24393353 0.76 KDM4E (0.52) KDM4EALDH1A1GAAEGLN2HPGD
SCHEMBL24392490 0.72 KDM4E (0.48) PDE2AKDM4EALDH1A1GAAEGLN2
SCHEMBL24392296 0.71 PDE2A (0.37) PDE2AKITKDM4EALDH1A1GAA
SCHEMBL24391742 0.68 KDM4E (0.44) PDE2AKDM4EALDH1A1GAAEGLN2
SCHEMBL786000 0.67 HTR3E (0.54) ALDH1A1GAASMN1; SMN2LMNANPC1
SCHEMBL24392146 0.67 OPRK1 (0.36) PAK1
SCHEMBL24392676 0.63 CSNK2A2 (0.34) PDE2AKITPDE10A
SCHEMBL24392682 0.62 OPRK1 (0.34) PDE2AKIT

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-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — WO disclosed
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