SCHEMBL11739271

SCHEMBL11739271

O=CCc1ccc2cc(F)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ DAO P14920 2/20 0.44
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ CYP19A1 P11511 1/20 0.39
▸ MPO P05164 1/20 0.37
▸ CCR3 P51677 8/20 0.37
▸ NAAA Q02083 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ TLR2 O60603 1/20 0.36
▸ MCHR1 Q99705 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
SCHEMBL11743633 0.94 CYP19A1 (0.45) CYP1A2CYP2A6DAOSLC6A2SLC6A4
SCHEMBL16595322 0.82 SLC6A2 (0.46) CYP1A2CYP2A6DAOSLC6A2SLC6A4
SCHEMBL1876507 0.79 CYP19A1 (0.48) CYP19A1
SCHEMBL720558 0.78 CYP1A2 (0.56) CYP1A2CYP2A6
SCHEMBL29955760 0.78 CYP1A2 (0.56) CYP1A2CYP2A6
SCHEMBL15351724 0.78 CYP1A2 (0.50) CYP1A2CYP2A6DAOSLC6A2SLC6A4
SCHEMBL28132843 0.77 SLC6A2 (0.46) CYP1A2CYP2A6DAOSLC6A2SLC6A4
SCHEMBL418183 0.77 TRPA1 (0.48) MAOAMAOB
SCHEMBL9908257 0.77 TRPA1 (0.48) MAOAMAOB
SCHEMBL11634757 0.77 CYP1A2 (0.48) CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 — — US disclosed
US-3960936-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS SYNTEX CORPORATION (PM) 1976-06-01 — — US disclosed
US-3947472-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-03-30 — — US disclosed
US-3935273-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1976-01-27 — — US disclosed
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