SCHEMBL11663079

SCHEMBL11663079

[CH]=CC(OC)C(F)(F)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ IDO1 P14902 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.42
▸ MAOB P27338 4/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ ACP3 P15309 1/20 0.39
▸ EPHX1 P07099 2/20 0.39
▸ MIF P14174 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ PTPN7 P35236 1/20 0.38
▸ DUSP3 P51452 1/20 0.38

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
SCHEMBL11662620 0.89 HTR2A (0.47) HTR2AHTR2BHTR2CIDO1TAAR1
SCHEMBL11662003 0.83 PNMT (0.40) IDO1TAAR1
SCHEMBL11611586 0.78 HTR2A (0.46) HTR2AHTR2BHTR2CIDO1TAAR1
SCHEMBL11766837 0.77 HTR2A (0.46) HTR2AHTR2BHTR2CIDO1TAAR1
SCHEMBL11661597 0.76 HTR2A (0.48) HTR2AHTR2BHTR2CIDO1TAAR1
SCHEMBL11661946 0.75 TAAR1 (0.53) HTR2AHTR2BHTR2CIDO1TAAR1
SCHEMBL11519063 0.73 HTR2A (0.48) HTR2AHTR2BHTR2CIDO1TAAR1
SCHEMBL11661985 0.72 L3MBTL1 (0.37) HTR2AHTR2BHTR2CMAOBMAPT
SCHEMBL11611410 0.71 HTR2A (0.47) HTR2AHTR2BHTR2CIDO1TAAR1
SCHEMBL73993 0.70 HTR2A (0.58) HTR2AHTR2BHTR2CIDO1TAAR1

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-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
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