SCHEMBL25738505

SCHEMBL25738505

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NC3CC3)nc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ USP30 Q70CQ3 3/20 0.55
▸ POLB P06746 1/20 0.52
▸ GPR119 Q8TDV5 5/20 0.49
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PARP1 P09874 5/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PRKAA2 P54646 1/20 0.47

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
SCHEMBL30385538 1.00 MAPT (0.60) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL29169381 0.96 MEN1 (0.58) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL30604697 0.93 SMN1; SMN2 (0.58) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL29085169 0.93 SMN1; SMN2 (0.58) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL29085201 0.91 SMN1; SMN2 (0.57) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL29085189 0.91 SMN1; SMN2 (0.57) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL29085193 0.89 MAPT (0.54) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL29085218 0.89 MAPT (0.54) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL30604698 0.89 MAPT (0.54) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL29085192 0.89 MAPT (0.54) MAPTSMN1; SMN2MEN1TSHRKMT2A

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-2023109521-A1 PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 凯复(苏州)生物医药有限公司 2023-06-22 — — WO disclosed
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