SCHEMBL29231340

SCHEMBL29231340

CC(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccc(C(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.47
▸ TACR1 P25103 7/20 0.46
▸ CPA1 P15085 1/20 0.44
▸ CPA2 P48052 1/20 0.44
▸ CPA4 Q9UI42 1/20 0.44
▸ MAPK10 P53779 1/20 0.42
▸ AADAT Q8N5Z0 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ BIRC3 Q13489 1/20 0.40
▸ BIRC2 Q13490 1/20 0.40
▸ BIRC8 Q96P09 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ TRPV1 Q8NER1 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
SCHEMBL24665904 1.00 CFD (0.47) CFDTACR1CPA1CPA2CPA4
SCHEMBL30341369 0.88 TACR1 (0.40) CFDTACR1CPA1CPA2CPA4
SCHEMBL29230687 0.88 TACR1 (0.40) CFDTACR1CPA1CPA2CPA4
SCHEMBL24665979 0.88 TACR1 (0.40) CFDTACR1CPA1CPA2CPA4
SCHEMBL24666350 0.87 CFD (0.42) CFDTACR1KCNH2DPP8DPP7
SCHEMBL26833180 0.87 CFD (0.42) CFDTACR1KCNH2DPP8DPP7
SCHEMBL26837486 0.87 CFD (0.46) CFDTACR1CPA1CPA2CPA4
SCHEMBL26832850 0.86 FAP (0.44) CFDTACR1AADATDPP8DPP7
SCHEMBL24666347 0.84 TACR1 (0.41) CFDTACR1AADATDPP8DPP7
SCHEMBL24666349 0.83 TACR1 (0.40) CFDTACR1AADATDPP8DPP7

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
CN-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 — — CN disclosed
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