SCHEMBL9615110

SCHEMBL9615110

CCCCCn1c2c(c3ccccc31)CCNC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 3/20 0.54
PABPC1 P11940 2/20 0.54
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
NTSR1 P30989 1/20 0.53
NLRP3 Q96P20 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SIRT2 Q8IXJ6 4/20 0.53
SIRT1 Q96EB6 3/20 0.53
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
Hydrochloric Acid SCHEMBL9615105 0.99 KDM4E (0.53) NPC1RAB9AKDM4EPABPC1APOBEC3A
SCHEMBL176660 0.88 SIRT2 (0.66) NPC1RAB9AKDM4EPABPC1APOBEC3A
SCHEMBL11755016 0.88 NPC1 (0.54) NPC1RAB9AKDM4EPABPC1APOBEC3A
SCHEMBL9615137 0.85 HTR2A (0.55) RAB9AKDM4EALDH1A1HTR2AHTR2C
SCHEMBL9615142 0.84 SIRT2 (0.64) NPC1RAB9AKDM4EPABPC1APOBEC3A
Hydrochloric Acid SCHEMBL9696491 0.83 KDM4E (0.56) RAB9AKDM4EALDH1A1HTR2AHTR2C
SCHEMBL46293 0.83 HDAC1 (0.52) KDM4EHTR2AHTR2CALOX15MAPK1
SCHEMBL9696716 0.83 SIRT2 (0.55) SIRT2SIRT1HTR6HRH1
Hydrochloric Acid SCHEMBL9615130 0.83 SIRT2 (0.62) NPC1RAB9AKDM4EPABPC1APOBEC3A
SCHEMBL4300297 0.82 HDAC1 (0.53) KDM4EALDH1A1HTR2AHTR2CALOX15

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
US-5169852-A Anorexigenic agents NEUREX CORPORATION (US) 1992-12-08 US disclosed
EP-0520987-A4 METHOD OF SUPPRESSING APPETITE BY ADMINISTRATION OF TETRAHYDRO--g(b)-CARBOLINE DERIVATIVES. NEUREX CORP (US) 1992-05-13 EP disclosed
US-4978669-A ALTERING MACRONUTRIENT PREFERENCE NEUREX CORPORATION (US) 1990-12-18 US disclosed