SCHEMBL28398406

SCHEMBL28398406

CC(C)(C)OC(=O)N1CCC(C(=O)COc2ccnc(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 8/20 0.48
▸ PTPN2 P17706 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ PTPN6 P29350 1/20 0.47
▸ GPR119 Q8TDV5 4/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43

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
SCHEMBL190497 0.82 GPR119 (0.53) GPR119POLB
SCHEMBL29495616 0.82 GPR119 (0.53) GPR119POLB
SCHEMBL17645463 0.81 NPC1 (0.41) NPC1RAB9A
SCHEMBL13390150 0.81 STS (0.58) STSPTPN2PTPN1PTPN6GPR119
SCHEMBL28401978 0.81 ALDH1A1 (0.46) NPC1USP30POLB
SCHEMBL17645361 0.79 TAS1R3 (0.39) NPC1RAB9A
SCHEMBL30187837 0.78 SLC5A1 (0.46) STSGPR119POLBFAAH
SCHEMBL19740830 0.78 SLC5A1 (0.46) STSGPR119POLBFAAH
SCHEMBL14239639 0.78 GPR119 (0.50) STSGPR119POLB
SCHEMBL14239932 0.77 FAAH (0.50) STSGPR119POLBFAAHFNTA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111196804-B TGF-beta R1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-11-07 — — CN disclosed
CN-111196804-A TGF- β R1 inhibitor and application thereof 南京圣和药业股份有限公司 2020-05-26 — — CN disclosed
Send feedback