SCHEMBL26408693

SCHEMBL26408693

O=C(CN1CC2(CCC(C(=O)Nc3cccc(C(F)F)c3)CC2)C1)NC1(C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
ACKR3 P25106 3/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
OPRD1 P41143 1/20 0.34
KCNH2 Q12809 1/20 0.34
KLKB1 P03952 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL26408685 0.87 TP53 (0.44) POLBMAPTMGLL
SCHEMBL26408701 0.87 NPSR1 (0.49) UBE2MDCUN1D1KDM4ENPSR1USP2
SCHEMBL26408941 0.86 MALT1 (0.36) MAPT
SCHEMBL26408052 0.85 LMNA (0.45) LMNAACKR3
SCHEMBL26408062 0.85 LMNA (0.43) LMNAUBE2MDCUN1D1ACKR3KDM4E
SCHEMBL26408695 0.85 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2NPSR1GAAMAPT
SCHEMBL26408686 0.84 MAPT (0.43) LMNAGAAHTTPOLBMAPT
SCHEMBL26408696 0.83 SMN1; SMN2 (0.47) LMNAKDM4ESMN1; SMN2NPSR1GAA
SCHEMBL26408699 0.83 MALT1 (0.47) SMN1; SMN2GAAHPGDHTT
SCHEMBL26408707 0.81 MGLL (0.43) LMNASMN1; SMN2HPGDHTTMAPT

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-2023192675-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING AN AZASPIRONONANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed