SCHEMBL25697018

SCHEMBL25697018

COc1nc(C(=O)NC2CC2)ccc1N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.43
HSD11B1 P28845 2/20 0.41
HPGDS O60760 2/20 0.40
PARP1 P09874 1/20 0.40
CHEK1 O14757 2/20 0.39
CNR1 P21554 1/20 0.39
CD38 P28907 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL30273150 0.84 PARP1 (0.45) HSD11B1HPGDSPARP1CHEK1SMYD3
SCHEMBL25235207 0.84 PARP1 (0.45) HSD11B1HPGDSPARP1CHEK1SMYD3
Hydrochloric Acid SCHEMBL31552839 0.83 PARP1 (0.44) HSD11B1HPGDSPARP1CHEK1SMYD3
SCHEMBL25323925 0.82 PARP1 (0.52) HSD11B1HPGDSPARP1CHEK1CD38
SCHEMBL31465719 0.82 HSD11B1 (0.43) HSD11B1HPGDSPARP1CHEK1SMYD3
Hydrochloric Acid SCHEMBL30720140 0.82 CRBN (0.47)
Hydrochloric Acid SCHEMBL25320690 0.81 PARP1 (0.51) HSD11B1HPGDSPARP1CHEK1SMYD3
Hydrochloric Acid SCHEMBL31552854 0.81 SMYD3 (0.43) HSD11B1HPGDSPARP1CHEK1SMYD3
SCHEMBL31465737 0.76 PARP1 (0.45) PARP1CD38CYP2D6CYP2B6CYP2C19
SCHEMBL29085174 0.73 SCN9A (0.43) CNR2HPGDSPARP1HTR3A

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-2023122140-A1 PARP1 INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-06-29 WO disclosed