SCHEMBL25354550

SCHEMBL25354550

C[C](C)C.Cc1ccccc1[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
BRD4 O60885 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HTR2C P28335 2/20 0.36
HSD11B1 P28845 1/20 0.36
HDAC4 P56524 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 2/20 0.34
AVPR1A P37288 1/20 0.34
KIF11 P52732 1/20 0.34
REN P00797 1/20 0.34
PROKR1 Q8TCW9 2/20 0.33
HTT P42858 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL25358394 0.97 BRD4 (0.38) MAOBBRD4HRH4HTR2CHSD11B1
SCHEMBL25353405 0.97 BRD4 (0.38) MAOBBRD4HRH4HTR2CHSD11B1
SCHEMBL23222196 0.89 MAOB (0.39) MAOBBRD4HRH4HTR2CHSD11B1
SCHEMBL19002463 0.83 EPHX2 (0.42) BRD4HRH4
SCHEMBL18997553 0.83 BRD4 (0.39) BRD4HRH4HTR2CHSD11B1AVPR1A
SCHEMBL27520764 0.81 GSK3B (0.43) HRH4SIGMAR1
SCHEMBL21105408 0.81 GSK3B (0.43) BRD4HDAC4SIGMAR1CYP1A2
SCHEMBL27224078 0.81 GSK3B (0.43) BRD4HDAC4SIGMAR1ALDH1A1HTT
SCHEMBL30453849 0.81 MAPK1 (0.48)
SCHEMBL30453635 0.81 MAPK1 (0.48)

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-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed