SCHEMBL25690429

SCHEMBL25690429

Cc1nc(C(=O)NC2CCOCC2)ccc1I

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.48
▸ BRD4 O60885 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SCN9A Q15858 4/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ CHRM1 P11229 1/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ PTGER1 P34995 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
SCHEMBL25690615 0.92 SCN9A (0.47) CNR2HPGDSCHRM4NPC1RAB9A
SCHEMBL25690434 0.92 SCN9A (0.47) CNR2HPGDSCHRM4NPC1RAB9A
SCHEMBL25690685 0.92 SCN9A (0.47) CNR2HPGDSCHRM4NPC1RAB9A
SCHEMBL25690421 0.90 DPP4 (0.45) CHRM4NPC1RAB9ADPP4
SCHEMBL25690689 0.85 CD38 (0.48) NPC1RAB9ADPP4
SCHEMBL25690609 0.85 CNR2 (0.52) CNR2BRD4HPGDSNPC1RAB9A
SCHEMBL25690440 0.83 CHRNB2 (0.45) HDAC4HDAC6
SCHEMBL25690684 0.81 CHRM5 (0.40) BRD4HPGDSNPC1RAB9ASCN9A
SCHEMBL25690606 0.81 GRM5 (0.38) CNR2NPC1RAB9ADPP4
SCHEMBL25690437 0.81 CHRM5 (0.40) BRD4HPGDSNPC1RAB9ASCN9A

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
Send feedback