SCHEMBL30164987

SCHEMBL30164987

O=C(Oc1cccc(-c2c[nH]c(=O)c(C(F)(F)F)c2)c1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.54
TIPARP Q7Z3E1 10/20 0.48
TRPV1 Q8NER1 2/20 0.46
SLC6A7 Q99884 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL24967938 1.00 TRPA1 (0.54) TRPA1TIPARPTRPV1SLC6A7KDM4E
SCHEMBL24968392 0.89 TIPARP (0.46) TRPA1TIPARPTRPV1
SCHEMBL24967956 0.87 TIPARP (0.46) TRPA1TIPARPTRPV1
SCHEMBL30165032 0.87 TIPARP (0.45) TRPA1TIPARPTRPV1
SCHEMBL24967951 0.87 TIPARP (0.45) TRPA1TIPARPTRPV1
SCHEMBL24968374 0.86 TIPARP (0.44) TRPA1TIPARPTRPV1
SCHEMBL24967944 0.86 CHRM2 (0.43) TRPA1TIPARP
SCHEMBL24967945 0.86 CHRM2 (0.43) TRPA1TIPARP
SCHEMBL24968391 0.85 TIPARP (0.44) TRPA1TIPARPTRPV1HPGDSMN1; SMN2
SCHEMBL24968206 0.85 TRPA1 (0.42) TRPA1TIPARPTRPV1

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-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed