SCHEMBL28911545

SCHEMBL28911545

NC(=O)OC1CCN(c2ccc(OCc3ccccc3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.49
▸ HRH3 Q9Y5N1 6/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ P4HTM Q9NXG6 1/20 0.47
▸ SLC6A7 Q99884 1/20 0.46
▸ PRMT5 O14744 2/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TNF P01375 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ NOD2 Q9HC29 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NTRK1 P04629 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
SCHEMBL28543989 0.89 SLC6A7 (0.50) P4HTMSLC6A7NPC1RAB9ALMNA
SCHEMBL29105992 0.81 SPHK1 (0.49) MCHR1NPC1RAB9ALMNAALDH1A1
SCHEMBL26695651 0.81 SPHK1 (0.42) DGAT1MCHR1SLC6A7PRMT5NPC1
SCHEMBL6276733 0.81 DGAT1 (0.49) DGAT1MCHR1P4HTMSLC6A7PRMT5
SCHEMBL26077367 0.81 ALDH1A1 (0.54) DGAT1HRH3MCHR1P4HTMPRMT5
SCHEMBL25173787 0.80 DGAT1 (0.50) DGAT1MCHR1P4HTMSLC6A7PRMT5
SCHEMBL30913560 0.80 DGAT1 (0.50) DGAT1MCHR1P4HTMSLC6A7PRMT5
SCHEMBL28547470 0.80 HRH3 (0.52) HRH3LMNAKDM4E
SCHEMBL30913568 0.79 MCHR1 (0.48) DGAT1MCHR1P4HTMSLC6A7PRMT5
SCHEMBL25176689 0.79 MCHR1 (0.48) DGAT1MCHR1P4HTMSLC6A7PRMT5

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-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 — — CN disclosed
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 — — CN disclosed
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