SCHEMBL31337246

SCHEMBL31337246

CC(C)(C)OC(=O)N1CCC(Oc2ccccc2-c2ccc(C(=O)Nc3ccccc3)s2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.66
▸ SCN5A Q14524 1/20 0.66
▸ ACKR3 P25106 1/20 0.47
▸ CHRNA7 P36544 1/20 0.45
▸ GPR119 Q8TDV5 2/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ PTPN6 P29350 1/20 0.44
▸ MMP1 P03956 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42

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
SCHEMBL31337255 0.93 KCNH2 (0.57) KCNH2SCN5AACKR3CHRNA7KDM1A
SCHEMBL31337341 0.91 KCNH2 (0.54) KCNH2SCN5AACKR3CHRNA7KDM1A
SCHEMBL31337437 0.88 KCNH2 (0.74) KCNH2SCN5ACHRNA7PTPN1KDM4E
SCHEMBL31337250 0.84 KCNH2 (0.61) KCNH2SCN5ACHRNA7MMP13KDM4E
SCHEMBL31337265 0.81 KCNH2 (0.65) KCNH2SCN5ACHRNA7KDM4EMAPT
SCHEMBL31337256 0.81 ACHE (0.48) ACKR3
SCHEMBL31337230 0.80 KCNH2 (1.00) KCNH2SCN5ACHRNA7PTPN1KDM4E
SCHEMBL31337402 0.79 KCNH2 (0.62) KCNH2SCN5ACHRNA7MAPTNPC1
SCHEMBL31337231 0.77 PRSS12 (0.54) KCNH2ACKR3PTPN2PTPN1PTPN6
SCHEMBL3103045 0.73 RBP4 (0.63) GPR119KDM1AKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025022031-A1 NEW DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2025-01-30 — — WO disclosed
Send feedback