SCHEMBL25669684

SCHEMBL25669684

CCCCCCNC(N)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.46
EPHX1 P07099 4/20 0.42
DNM1 Q05193 2/20 0.42
RRM1 P23921 1/20 0.42
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
NOD1 Q9Y239 1/20 0.38
TP53 P04637 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
SCHEMBL28156554 0.98 DPP7 (0.47) DPP7EPHX1DNM1RRM1OPRM1
SCHEMBL28985254 0.95 OPRM1 (0.46) DPP7EPHX1RRM1OPRM1ALDH1A1
SCHEMBL27896530 0.95 OPRM1 (0.46) DPP7EPHX1RRM1OPRM1ALDH1A1
SCHEMBL28116311 0.95 OPRM1 (0.46) DPP7EPHX1RRM1OPRM1ALDH1A1
SCHEMBL28331825 0.95 OPRM1 (0.46) DPP7EPHX1RRM1OPRM1ALDH1A1
SCHEMBL9163909 0.95 OPRM1 (0.46) DPP7EPHX1RRM1OPRM1ALDH1A1
SCHEMBL28542120 0.95 OPRM1 (0.46) DPP7EPHX1RRM1OPRM1ALDH1A1
SCHEMBL27296396 0.95 OPRM1 (0.46) DPP7EPHX1RRM1OPRM1ALDH1A1
SCHEMBL9691923 0.95 OPRM1 (0.46) DPP7EPHX1RRM1OPRM1ALDH1A1
SCHEMBL28161008 0.95 OPRM1 (0.46) DPP7EPHX1RRM1OPRM1ALDH1A1

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-2023107356-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME LLC (US) 2023-06-15 WO disclosed