SCHEMBL4592873

SCHEMBL4592873

CCCCCc1c(N)c(CCCCC)c(CCCCC)c(-c2ccc(N)cc2)c1CCCCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SRC P12931 1/20 0.39
HTR2A P28223 1/20 0.39
TLR8 Q9NR97 1/20 0.39
DHFR P00374 1/20 0.38
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL2331006 0.95 GCGR (0.38) GCGRKDM4ERAB9AMAPTMEN1
SCHEMBL2382569 0.89 RAB9A (0.46) GCGRKDM4ERAB9AMAPTMEN1
SCHEMBL27697130 0.87 SRC (0.45) GCGRKDM4ERAB9AMAPTMEN1
SCHEMBL1513156 0.78 GCGR (0.42) GCGRKDM4ERAB9AMAPTMEN1
SCHEMBL10345129 0.78 TLR8 (0.41) MAPTMEN1ALDH1A1KMT2AHTR2A
SCHEMBL10345132 0.76 TSHR (0.44) MAPTMEN1ALDH1A1KMT2AHTR2A
SCHEMBL10345139 0.76 TSHR (0.44) MAPTMEN1ALDH1A1KMT2AHTR2A
SCHEMBL10345217 0.76 TSHR (0.44) MAPTMEN1ALDH1A1KMT2AHTR2A
SCHEMBL10344837 0.76 TSHR (0.44) MAPTMEN1ALDH1A1KMT2AHTR2A
SCHEMBL3695485 0.76 TSHR (0.44) MAPTMEN1ALDH1A1KMT2AHTR2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247418-A1 NAV1.7 BINDERS Merck Sharp & Dohme LLC (US) 2023-09-27 EP disclosed
WO-2022109102-A1 NAV1.7 BINDERS MERCK SHARP & DOHME CORP. (US) 2022-05-27 WO disclosed
WO-2015150822-A1 MATERIALS AND METHODS FOR ANALYSING PHOSPHORYLATION OF A TARGET POLYPEPTIDE THE UNIVERSITY OF BATH (GB) 2015-10-08 WO disclosed
EP-1999797-A2 DEVICE INCLUDING SEMICONDUCTOR NANOCRYSTALS AND A LAYER INCLUDING A DOPED ORGANIC MATERIAL AND METHODS QD Vision, Inc. (US) 2008-12-10 EP disclosed
WO-2007095061-A2 DEVICE INCLUDING SEMICONDUCTOR NANOCRYSTALS AND A LAYER INCLUDING A DOPED ORGANIC MATERIAL AND METHODS QD VISION, INC. (US) 2007-08-23 WO disclosed