SCHEMBL21348314

SCHEMBL21348314

Cc1cccc(COc2ccc(CN3CCCC3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.70
NPC1 O15118 4/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL28255630 0.97 HRH3 (0.66) HRH3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL21347483 0.84 HRH3 (0.68) HRH3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL21347499 0.83 HRH3 (0.66) HRH3SMN1; SMN2ALDH1A1
SCHEMBL21348251 0.83 HRH3 (0.66) HRH3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL26010198 0.82 HRH3 (0.53) HRH3SMN1; SMN2KDM4E
SCHEMBL12981 0.82 HRH3 (0.69) HRH3SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL31546411 0.82 HRH3 (0.69) HRH3SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL3044721 0.82 MAOB (0.64) HRH3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL26010164 0.81 HRH3 (0.69) HRH3KDM4EALDH1A1LMNAMAPT
SCHEMBL28255638 0.81 HRH3 (0.91) HRH3NPC1RAB9ASMN1; SMN2TP53

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-3762364-B1 PYRROLIDINEAMIDE DERIVATIVES AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2023-08-23 EP disclosed
WO-2019170115-A1 PYRROLIDINEAMIDE DERIVATIVES AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-09-12 WO disclosed