SCHEMBL30286308

SCHEMBL30286308

NC(=O)CN1C2CCC1CN(c1ncc(C(F)(F)F)cn1)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.42
▸ SLC6A9 P48067 10/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHRM4 P08173 4/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ TIPARP Q7Z3E1 2/20 0.39
▸ CHRM1 P11229 1/20 0.39

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
SCHEMBL30286299 0.92 TIPARP (0.42) ACACBSLC6A9KDM4EABL1LMNA
SCHEMBL26125453 0.88 ACACB (0.42) ACACBSLC6A9CHRM2TIPARPCHRM1
SCHEMBL26124703 0.82 HPGD (0.42) ACACBSLC6A9KDM4ECHRM4
SCHEMBL26125507 0.81 TIPARP (0.43) ACACBSLC6A9CHRM4CHRM2TIPARP
SCHEMBL30286395 0.79 ACACB (0.45) ACACBSLC6A9CHRM4CHRM2TIPARP
SCHEMBL28982957 0.79 EIF2AK4 (0.48) ACACBSLC6A9KDM4EABL1LMNA
SCHEMBL26128643 0.77 ACACB (0.43) ACACBSLC6A9CHRM4CHRM2TIPARP
SCHEMBL28982961 0.76 TIPARP (0.51) CHRM2TIPARPCHRM1
SCHEMBL26125223 0.75 HPGD (0.42) ACACBSLC6A9CHRM4CHRM2TIPARP
Hydrochloric Acid SCHEMBL31381924 0.74 TIPARP (0.44) ACACBSLC6A9KDM4EABL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785074-B PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2024-05-07 — — CN disclosed
WO-2023185073-A1 PARP7 INHIBITOR AND USE THEREOF 诺沃斯达药业(上海)有限公司 2023-10-05 — — WO disclosed
CN-115785074-A PARP7 inhibitors and uses thereof 诺沃斯达药业(上海)有限公司 2023-03-14 — — CN disclosed
Send feedback