SCHEMBL30219792

SCHEMBL30219792

CC(C)(NCCc1cccc(C(F)(F)F)c1)c1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.51
▸ HTR2A P28223 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ MAOB P27338 2/20 0.44
▸ IDO1 P14902 2/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL24046676 1.00 TSHR (0.54) TSHRMAPK1TAAR1HTR2AHTR2B
SCHEMBL24046632 0.83 TSHR (0.40) TSHRMAPK1TAAR1HTR1AROCK1
SCHEMBL30219772 0.83 TSHR (0.40) TSHRMAPK1TAAR1HTR1AROCK1
SCHEMBL15432467 0.81 TAAR1 (0.57) TSHRTAAR1HTR2AHTR2BHTR2C
Ammonia Solution, Strong SCHEMBL28048257 0.80 TAAR1 (0.56) TSHRTAAR1HTR2AHTR2BHTR2C
SCHEMBL5176951 0.79 TAAR1 (0.43) TSHRTAAR1HTR2AHTR2BHTR2C
SCHEMBL25695740 0.78 CYP3A4 (0.41) TSHRMAPK1TAAR1HTR1AMAOB
SCHEMBL9799352 0.76 TAAR1 (0.64) TSHRMAPK1TAAR1HTR2AHTR2B
Hydrochloric Acid SCHEMBL27770501 0.76 TAAR1 (0.62) TSHRTAAR1HTR2AHTR2BHTR2C
SCHEMBL8084194 0.75 SIGMAR1 (0.59) TSHRTAAR1HTR2AHTR2BHTR2C

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
EP-4153175-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2023-03-29 — — EP disclosed
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