SCHEMBL4616378

SCHEMBL4616378

Cc1cc(C(F)(F)F)ccc1CCN

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 5/20 0.52
▸ DAO P14920 1/20 0.51
▸ IDO1 P14902 2/20 0.46
▸ MAOB P27338 3/20 0.46
▸ HTR1D P28221 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ HRH1 P35367 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL13782 0.87 DAO (0.48) TAAR1DAOIDO1MAOBRXRA
SCHEMBL1972143 0.84 DAO (0.46) TAAR1DAOIDO1MAOBHTR2A
Hydrochloric Acid SCHEMBL966617 0.82 IDO1 (0.47) TAAR1DAOIDO1MAOBHTR2A
SCHEMBL5426147 0.82 IDO1 (0.61) TAAR1DAOIDO1MAOBHRH1
SCHEMBL16950937 0.82 DAO (0.53) DAOIDO1RXRARXRBRXRG
SCHEMBL25955850 0.82 MAOB (0.49) TAAR1DAOMAOBRXRARXRB
SCHEMBL22265169 0.81 TAAR1 (0.48) TAAR1DAOIDO1MAOBHTR1D
Hydrochloric Acid SCHEMBL4496729 0.81 IDO1 (0.64) TAAR1DAOIDO1MAOBHRH1
SCHEMBL6815067 0.81 TAAR1 (0.52) TAAR1DAOIDO1MAOBHTR2A
SCHEMBL12226967 0.81 DAO (0.51) DAOIDO1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914351-A1 CARBAMATE DERIVATIVES AND USES THEREOF Nodthera Limited (GB) 2021-12-01 — — EP disclosed
WO-2020152361-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-07-30 — — WO disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 — — EP disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 — — EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 — — WO disclosed
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