SCHEMBL31132739

SCHEMBL31132739

CCC(=O)Nc1cnc(Oc2cc(F)c(F)cc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ ADORA3 P0DMS8 7/20 0.38
▸ ADORA1 P30542 5/20 0.38
▸ ADORA2A P29274 4/20 0.38
▸ MRGPRX2 Q96LB1 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GCK P35557 3/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL30899660 0.86 MRGPRX2 (0.48) HSD17B10HPGDABL1ADORA3ADORA1
SCHEMBL27211501 0.80 MRGPRX2 (0.43) MRGPRX2RAB9AGCK
SCHEMBL29563814 0.80 MRGPRX2 (0.43) MRGPRX2RAB9AGCK
SCHEMBL31132457 0.80 MRGPRX2 (0.43) MRGPRX2RAB9AGCK
SCHEMBL29806041 0.78 ABL1 (0.46) HSD17B10ABL1ADORA3ADORA1ADORA2A
SCHEMBL17778922 0.76 ADORA3 (0.45) HSD17B10HPGDABL1ADORA3ADORA1
SCHEMBL18896187 0.76 ADORA3 (0.48) HSD17B10HPGDADORA3ADORA1ADORA2A
SCHEMBL30899659 0.75 HSD17B10 (0.49) HSD17B10HPGDADORA3ADORA1ADORA2A
SCHEMBL24298068 0.74 MRGPRX2 (0.48) MRGPRX2
SCHEMBL31133251 0.70 MRGPRX2 (0.48) MRGPRX2GCK

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
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 — — EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 — — WO disclosed
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