SCHEMBL31058376

SCHEMBL31058376

CC1(C)OC[C@@H](CCCn2ccc3cc(Br)c(F)c(F)c3c2=O)N1C(=O)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.34
▸ CCR5 P51681 2/20 0.33
▸ TRPC3 Q13507 1/20 0.31
▸ TRPC7 Q9HCX4 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GAA P10253 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ FAAH O00519 1/20 0.30
▸ PKM P14618 2/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL25901613 1.00 HTR2C (0.34) HTR2CCCR5TRPC3TRPC7ABL1
SCHEMBL31058380 0.88 TNF (0.34) HTR2CCCR5TRPC3TRPC7ABL1
SCHEMBL26782492 0.88 TNF (0.34) HTR2CCCR5TRPC3TRPC7ABL1
SCHEMBL26782493 0.84 CETP (0.33) TRPC3TRPC7NPSR1FAAH
SCHEMBL30550837 0.84 CETP (0.33) TRPC3TRPC7NPSR1FAAH
SCHEMBL25901539 0.77 HTR2C (0.33) HTR2CMEN1KMT2ANPSR1
SCHEMBL30550825 0.77 SCD (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL26782496 0.77 SCD (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1568627 0.75 HTR2C (0.47) HTR2CMEN1KMT2ANPSR1GAA
SCHEMBL1568630 0.75 HTR2C (0.47) HTR2CMEN1KMT2ANPSR1GAA

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-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 — — CN disclosed
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