SCHEMBL19454489

SCHEMBL19454489

Cc1ccc2c(c1)N(C(C)C)CN2C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.37
▸ NOTUM Q6P988 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2A6 P11509 2/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ AADAT Q8N5Z0 2/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL5494480 0.88 HSD17B10 (0.37) HSD17B10NOTUMLMNANPSR1TRPA1
SCHEMBL23366510 0.78 KDM4E (0.35) HSD17B10CYP1A2ALDH1A1MAPTCYP3A4
SCHEMBL21008360 0.77 ALDH1A1 (0.37) HSD17B10NOTUMLMNATRPA1CHRM1
SCHEMBL16525749 0.75 HPGD (0.37) HSD17B10LMNACHRM1SLC6A2ADRA1A
SCHEMBL26689195 0.73 ALDH1A1 (0.39) NOTUMLMNAHTR2BALDH1A1MAPT
SCHEMBL29425026 0.72 LMNA (0.44) HSD17B10LMNA
Iodide SCHEMBL26677808 0.72 ALDH1A1 (0.38) NOTUMLMNAHTR2BALDH1A1MAPT
SCHEMBL13180881 0.71 NOTUM (0.51) NOTUMNPSR1CHRM1SLC6A2ALDH1A1
SCHEMBL10092850 0.71 ALDH1A1 (0.46) HSD17B10NOTUMSLC6A2HTR2BCYP1A2
SCHEMBL24613022 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087309-A1 FUNCTIONAL POLYMER SUSOS AG (CH) 2021-03-25 — — US disclosed
US-10882931-B2 Functional polymer SUSOS AG (CH) 2021-01-05 — — US disclosed
US-20170291971-A1 FUNCTIONAL POLYMER SUSOS AG (CH) 2017-10-12 — — US disclosed
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