SCHEMBL19212445

SCHEMBL19212445

O=C(O)N1CCC(c2ccc(CO)cc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
OPRL1 P41146 2/20 0.39
EPHX2 P34913 1/20 0.39
TACR1 P25103 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL19212209 0.85 GRM5 (0.43) GRM5KDM5AKDM4CKDM5BOPRL1
SCHEMBL17397790 0.82 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL15778748 0.82 SLC6A2 (0.46) GRM5KDM5AKDM4CKDM5BOPRL1
SCHEMBL19212180 0.81 GPR119 (0.51) GRM5SMN1; SMN2HPGDTP53MAPT
SCHEMBL29707348 0.81 GPR119 (0.51) GRM5SMN1; SMN2HPGDTP53MAPT
SCHEMBL19212250 0.80 GRM5 (0.44) GRM5KDM5AKDM4CKDM5BOPRL1
SCHEMBL23291443 0.80 GRM5 (0.42) GRM5OPRL1SMN1; SMN2MAPTHTT
SCHEMBL10088507 0.79 SLC6A2 (0.44) GRM5KDM5AKDM4CKDM5BOPRL1
SCHEMBL3900326 0.77 NUDT1 (0.43) SLC6A2SLC6A4SLC6A3CYP2C9
SCHEMBL17596063 0.77 DRD2 (0.50) NPC1RAB9A

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-3414252-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2018-12-19 EP disclosed
WO-2017139778-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-08-17 WO disclosed