SCHEMBL19283752

SCHEMBL19283752

CC(C)c1csc(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
OGA O60502 2/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
LMNA P02545 5/20 0.41
MAPK1 P28482 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DPP4 P27487 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL17541709 0.81 HRH3 (0.44) RAB9ANPC1OGAMAPTALDH1A1
SCHEMBL19283645 0.80 DPP4 (0.54) RAB9ANPC1OGAMAPTALDH1A1
SCHEMBL11703124 0.80 OGA (0.51) RAB9ANPC1OGAMAPTALDH1A1
SCHEMBL18101352 0.79 OGA (0.50) RAB9ANPC1OGAMAPTALDH1A1
Hydrochloric Acid SCHEMBL11700234 0.78 OGA (0.50) RAB9ANPC1OGAMAPTALDH1A1
SCHEMBL15341959 0.78 OGA (0.56) OGAMAPTALDH1A1HRH3LMNA
SCHEMBL12869754 0.78 OGA (0.49) RAB9ANPC1OGAMAPTALDH1A1
SCHEMBL17541577 0.77 LMNA (0.60) RAB9ANPC1OGAMAPTALDH1A1
SCHEMBL19283656 0.77 CTSB (0.50) RAB9ANPC1OGAMAPTALDH1A1
SCHEMBL12506144 0.76 OGA (0.45) RAB9ANPC1OGAHRH3SMN1; SMN2

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
EP-3419976-A1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES Asceneuron SA (CH) 2019-01-02 EP disclosed
WO-2017144637-A1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON S. A. (CH) 2017-08-31 WO disclosed