SCHEMBL26122829

SCHEMBL26122829

CC(=O)OCCN1C2CC1CN(c1ncc(C(F)(F)F)cn1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.43
▸ TIPARP Q7Z3E1 3/20 0.41
▸ CHRM4 P08173 7/20 0.38
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35

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
SCHEMBL26128643 0.93 ACACB (0.43) ACACBTIPARPCHRM4PPARGPPARD
SCHEMBL26125223 0.80 HPGD (0.42) ACACBTIPARPCHRM4PPARGPPARD
SCHEMBL26125507 0.78 TIPARP (0.43) ACACBTIPARPCHRM4PPARGPPARD
SCHEMBL30286299 0.77 TIPARP (0.42) ACACBTIPARPCHRM4CHRM2HDAC3
SCHEMBL27173051 0.74 TIPARP (0.47) ACACBTIPARPCHRM4PPARGPPARD
SCHEMBL25309274 0.73 GPR119 (0.52) ACACBTIPARPCHRM4PPARGPPARD
SCHEMBL26124703 0.73 HPGD (0.42) ACACBCHRM4PPARGPPARDPPARA
SCHEMBL26126183 0.73 PPARG (0.41) ACACBTIPARPPPARGPPARDPPARA
SCHEMBL26125453 0.71 ACACB (0.42) ACACBTIPARPCHRM2CHRM1HDAC3
SCHEMBL30286308 0.70 ACACB (0.42) ACACBTIPARPCHRM4CHRM2CHRM1

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-2023185073-A1 PARP7 INHIBITOR AND USE THEREOF 诺沃斯达药业(上海)有限公司 2023-10-05 — — WO disclosed
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