SCHEMBL6600488

SCHEMBL6600488

CC(C(=O)OC(C)(C)C)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
HRH3 Q9Y5N1 1/20 0.35
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
OPRD1 P41143 4/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSL P07711 1/20 0.32
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
HPGD P15428 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL6965942 0.81 HRH3 (0.34) SIGMAR1HRH3CHRM5CHRM3OPRD1
SCHEMBL26292486 0.79 SIGMAR1 (0.44) SIGMAR1CHRM5CHRM3OPRD1SMN1; SMN2
SCHEMBL6603037 0.79 SIGMAR1 (0.44) SIGMAR1CHRM5CHRM3OPRD1SMN1; SMN2
SCHEMBL27528184 0.79 CA2 (0.39) SIGMAR1CHRM5CHRM3OPRD1USP2
SCHEMBL20338404 0.79 OPRD1 (0.34) SIGMAR1HRH3OPRD1USP2SMN1; SMN2
SCHEMBL327357 0.79 PREP (0.40) HRH3USP2SMN1; SMN2HTTATM
SCHEMBL17025687 0.79 HRH3 (0.35) HRH3USP2SMN1; SMN2CTSLHTT
SCHEMBL17927811 0.78 SIGMAR1 (0.35) SIGMAR1HRH3CHRM5CHRM3OPRD1
Hydrochloric Acid SCHEMBL25274894 0.78 SIGMAR1 (0.43) SIGMAR1CHRM5CHRM3OPRD1SMN1; SMN2
SCHEMBL6603990 0.78 SIGMAR1 (0.40) SIGMAR1CHRM5CHRM3OPRD1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025120168-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CRYPTOSPORIDIUM INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2025-06-12 WO disclosed
CN-117858874-A HPK1 degrading agents, compositions comprising the same, and methods of use thereof 百放开曼有限公司 2024-04-09 CN disclosed
EP-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 EP disclosed
US-6455529-B1 OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-09-24 US disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed