SCHEMBL20616288

SCHEMBL20616288

O=C(O)c1ccc(-c2ccc(CN3C[C@@H]4CNCCN4C3=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.40
▸ HPN P05981 2/20 0.40
▸ PRSS1 P07477 2/20 0.40
▸ PRSS2 P07478 2/20 0.40
▸ PRSS3 P35030 2/20 0.40
▸ ST14 Q9Y5Y6 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ HGFAC Q04756 1/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ CCR5 P51681 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ S1PR1 P21453 2/20 0.36
▸ S1PR5 Q9H228 2/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 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
SCHEMBL20616290 1.00 F10 (0.40) F10HPNPRSS1PRSS2PRSS3
SCHEMBL17062837 0.96 F10 (0.42) F10HPNPRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL31655669 0.90 F10 (0.39) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20942315 0.85 ENPP2 (0.43) F10HPNPRSS1PRSS2PRSS3
SCHEMBL29516262 0.83 SIGMAR1 (0.47) F10HPNPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL3602646 0.82 SIGMAR1 (0.46) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20615885 0.80 ALDH1A1 (0.42) F10HPNPRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL22390477 0.79 ENPP2 (0.39) F10HPNPRSS1PRSS2PRSS3
SCHEMBL20615914 0.78 HTR2C (0.37) HTR2AHTR2CHTR2BMMP13
SCHEMBL20615913 0.78 HTR2C (0.37) HTR2AHTR2CHTR2BMMP13

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
WO-2019001396-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-01-03 — — WO disclosed
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