SCHEMBL25690689

SCHEMBL25690689

Cc1nc(C(=O)N[C@H]2CC[C@H](C)CC2)ccc1I

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 1/20 0.48
▸ NPC1 O15118 9/20 0.48
▸ RAB9A P51151 8/20 0.48
▸ TAS1R3 Q7RTX0 2/20 0.46
▸ TAS1R1 Q7RTX1 2/20 0.46
▸ TAS1R2 Q8TE23 2/20 0.46
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ DPP4 P27487 2/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL25690421 0.94 DPP4 (0.45) CD38NPC1RAB9ADPP4KMT2A
SCHEMBL25690606 0.87 GRM5 (0.38) CD38NPC1RAB9ADPP4CNR1
SCHEMBL25690429 0.85 CNR2 (0.48) NPC1RAB9ADPP4
SCHEMBL25690688 0.84 PDE7A (0.42) CD38NPC1RAB9ADPP4CNR1
SCHEMBL25690439 0.84 PDE7A (0.42) CD38NPC1RAB9ADPP4CNR1
SCHEMBL25690440 0.84 CHRNB2 (0.45) —
SCHEMBL25690437 0.82 CHRM5 (0.40) NPC1RAB9ADPP4CNR1
SCHEMBL25690684 0.82 CHRM5 (0.40) NPC1RAB9ADPP4CNR1
SCHEMBL25690436 0.81 ALDH1A1 (0.39) NPC1RAB9ADPP4
SCHEMBL25698486 0.79 CHRM4 (0.49) CD38NPC1RAB9ADPP4CNR1

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
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