SCHEMBL23041509

SCHEMBL23041509

CC(C)[C@H](NC(=O)c1cnc(-c2cccc(-c3nnc(C(=O)NC(C4CC4)C4CC4)[nH]3)c2)o1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.38
▸ DGAT1 O75907 4/20 0.33
▸ CSGALNACT1 Q8TDX6 7/20 0.33
▸ GPR132 Q9UNW8 2/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ SLC8A1 P32418 1/20 0.32
▸ MMEL1 Q495T6 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 1/20 0.31

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
SCHEMBL23041511 1.00 MME (0.38) MMEDGAT1CSGALNACT1GPR132USP30
SCHEMBL28722565 0.93 MME (0.36) MMEDGAT1CSGALNACT1GPR132USP30
SCHEMBL28722717 0.93 MME (0.36) MMEDGAT1CSGALNACT1GPR132USP30
SCHEMBL23041569 0.93 MME (0.36) MMEDGAT1CSGALNACT1GPR132USP30
SCHEMBL23041646 0.93 MME (0.36) MMEDGAT1CSGALNACT1GPR132USP30
SCHEMBL23041566 0.93 MME (0.36) MMEDGAT1CSGALNACT1GPR132USP30
SCHEMBL23041649 0.93 MME (0.36) MMEDGAT1CSGALNACT1GPR132USP30
SCHEMBL23051954 0.92 TACR3 (0.34) MMEUSP30ACACBACACA
SCHEMBL23051952 0.92 TACR3 (0.34) MMEUSP30ACACBACACA
SCHEMBL29452820 0.92 TACR3 (0.34) MMEUSP30ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP claimed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO claimed
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP disclosed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO disclosed
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