SCHEMBL22265169

SCHEMBL22265169

CCc1cc(C(F)(F)F)ccc1CCN

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.48
▸ IDO1 P14902 2/20 0.44
▸ MAOB P27338 4/20 0.43
▸ DAO P14920 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ HRH1 P35367 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ HTR1D P28221 1/20 0.36

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
SCHEMBL15133743 0.85 ESR1 (0.44) IDO1DAOHTR2APDE2ACYP1A2
SCHEMBL4616378 0.81 TAAR1 (0.52) TAAR1IDO1MAOBDAOHTR2A
SCHEMBL18934899 0.81 MPO (0.43) TAAR1IDO1DAOHTR2AHTR2C
SCHEMBL5426147 0.79 IDO1 (0.61) TAAR1IDO1MAOBDAOPDE2A
SCHEMBL20472553 0.79 IDO1 (0.61) TAAR1IDO1MAOBDAOHTR2A
SCHEMBL18682072 0.79 ESR1 (0.40) IDO1DAOHTR2APDE2ACYP1A2
SCHEMBL22728419 0.78 ESR1 (0.43) IDO1DAOHTR2AHTR2CPDE2A
SCHEMBL12809047 0.78 PPARG (0.44) IDO1DAOPDE2AHRH4ESR1
Hydrochloric Acid SCHEMBL5178051 0.78 IDO1 (0.64) TAAR1IDO1MAOBHRH1HRH4
SCHEMBL14157121 0.78 TAAR1 (0.52) TAAR1IDO1MAOBHTR2AHTR2C

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 2 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
Send feedback