SCHEMBL31381998

SCHEMBL31381998

CC(C)(C)OC(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)[C@@H](CCO)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.43
GPR119 Q8TDV5 9/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
SLC6A9 P48067 2/20 0.38
KCNH2 Q12809 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ACACB O00763 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL31382096 1.00 CXCR3 (0.43) CXCR3GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL30729623 0.92 CXCR3 (0.50) CXCR3GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL26958997 0.92 CXCR3 (0.50) CXCR3GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL31491286 0.92 CXCR3 (0.50) CXCR3GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL14465886 0.92 CXCR3 (0.50) CXCR3GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL29841804 0.89 MEN1 (0.42) CXCR3GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL29841903 0.89 MEN1 (0.42) CXCR3GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL28972762 0.87 NR1H2 (0.43) CXCR3GPR119MEN1KMT2ACYP1A2
SCHEMBL31729432 0.87 GPR119 (0.43) GPR119CYP3A4
SCHEMBL31543857 0.84 GPR119 (0.42) GPR119KCNH2

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
WO-2025045246-A1 PARP7 INHIBITOR AND USE THEREOF 重庆华森英诺生物科技有限公司 2025-03-06 WO disclosed
CN-119330972-A PARP7 inhibitor and application thereof 重庆华森英诺生物科技有限公司 2025-01-21 CN disclosed