SCHEMBL5202907

SCHEMBL5202907

Cc1ccccc1NC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
P2RX7 Q99572 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41

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
SCHEMBL21392344 0.91 KDM4E (0.58) MAPTKDM4EGAANPC1RAB9A
SCHEMBL7634561 0.90 GAA (0.61) MAPTKDM4EGAANPC1RAB9A
SCHEMBL23016004 0.90 GAA (0.61) MAPTKDM4EGAANPC1RAB9A
SCHEMBL2087914 0.86 MAPT (0.41) MAPTKDM4EGAAHTTNPC1
SCHEMBL13246644 0.86 MAPK1 (0.46) MAPTKDM4EGAAHTTNPC1
SCHEMBL82901 0.86 BRD4 (0.54) MAPTKDM4EGAAHPGDCYP1A2
SCHEMBL2228800 0.86 BRD4 (0.46) MAPTKDM4EGAAHTTNPC1
Hydrochloric Acid SCHEMBL68445 0.85 BRD4 (0.52) MAPTKDM4EGAACYP1A2CYP3A4
SCHEMBL26268468 0.85 POLB (0.49) KDM4EGAASIGMAR1ALDH1A1CYP3A4
SCHEMBL13394719 0.83 EPHX2 (0.41) MAPTKDM4EGAAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4284795-A1 GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE Carmot Therapeutics, Inc. (US) 2023-12-06 EP disclosed
CN-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 CN disclosed
WO-2022165076-A1 GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE CARMOT THERAPEUTICS, INC. (US) 2022-08-04 WO disclosed
CN-107995910-A The inhibitor of human immunodeficiency virus replication VIIV保健英国第五有限公司 2018-05-04 CN disclosed
CN-106661051-A Antibacterial compounds 莱德克斯制药公共有限公司 2017-05-10 CN disclosed
EP-1819708-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-08-22 EP disclosed
WO-2006058868-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 WO disclosed