SCHEMBL30970546

SCHEMBL30970546

[2H]C([2H])(N)c1ccc(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TP53 P04637 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
IDO1 P14902 4/20 0.38
CXCR3 P49682 3/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM2 Q14416 1/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
ALDH1A1 P00352 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
SCHEMBL30474185 0.83 CYP2A6 (0.44) HTR2AHTR2CHTR2BTP53HTR1A
SCHEMBL992833 0.83 CYP2A6 (0.44) HTR2AHTR2CHTR2BTP53HTR1A
SCHEMBL4392149 0.81 TAAR1 (0.50) HTR2AHTR2CHTR2BTP53HTR1A
Hydrochloric Acid SCHEMBL5957928 0.81 HTR2A (0.46) HTR2AHTR2CHTR2BTP53HTR1A
Hydrochloric Acid SCHEMBL16401793 0.79 TAAR1 (0.48) HTR2AHTR2CHTR2BTP53HTR1A
SCHEMBL30970531 0.79 HTR2A (0.40) HTR2AHTR2CHTR2BTP53HTR1A
SCHEMBL4604208 0.78 KMT2A (0.48) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL6194409 0.78 CHEK1 (0.41) HTR2AHTR2CHTR2BTP53HTR1A
Hydrochloric Acid SCHEMBL30603519 0.77 IDO1 (0.57) HTR2AHTR2CHTR2BHTR1ATRPM8
Hydrochloric Acid SCHEMBL4933843 0.76 HTR2A (0.42) HTR2AHTR2CHTR2BTP53HTR1A

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
WO-2024140968-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD AND USE THEREFOR 广州市联瑞制药有限公司 2024-07-04 WO disclosed