SCHEMBL28030149

SCHEMBL28030149

c1ccc(C(NCC2CNC2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.50
RAB9A P51151 1/20 0.50
GRM7 Q14831 1/20 0.50
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
MAN2A1 Q16706 5/20 0.41
MAN1B1 Q9UKM7 5/20 0.41
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A2 P23975 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAN2B1 O00754 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GBA1 P04062 1/20 0.37
ATM Q13315 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
SCHEMBL28260287 0.82 MTOR (0.56) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL22462819 0.78 KDM1A (0.41) KDM1AMAOBMAN2A1MAN1B1SLC6A4
SCHEMBL21722996 0.78 KDM1A (0.41) KDM1AMAOBMAN2A1MAN1B1SLC6A4
SCHEMBL5634555 0.74 MTOR (0.50) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL28101212 0.72 SLC6A4 (0.45) CYP3A4KDM1AMAOBSLC6A4SLC6A3
SCHEMBL9185050 0.72 MTOR (0.52) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL19524563 0.71 MTOR (0.43) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL6023381 0.71 SLC6A4 (0.44) MTORRAB9AGRM7CYP3A4ALOX15
Hydrochloric Acid SCHEMBL28101214 0.71 SLC6A4 (0.44) CYP3A4KDM1AMAOBSLC6A4SLC6A3
SCHEMBL19651984 0.71 MAOB (0.50) RAB9AKDM1AMAOBMAN1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104918615-B The method for treating hepatopathy 扎夫根股份有限公司 2018-10-12 CN disclosed
CN-104918615-A Methods of treating liver diseases ZAFGEN INC 2015-09-16 CN disclosed