SCHEMBL23995200

SCHEMBL23995200

CC[C@H]1C[C@@H]1c1ccc2cnn(CC(F)(F)F)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.34
▸ HTR2A P28223 6/20 0.34
▸ SLC6A4 P31645 5/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ HTR2B P41595 6/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ CHRM2 P08172 3/20 0.31
▸ CHRM1 P11229 3/20 0.31
▸ CHRM3 P20309 2/20 0.31

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
SCHEMBL23992773 0.90 SLC6A4 (0.34) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL23995261 0.86 KCNJ6 (0.36) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL25006021 0.84 HTR2A (0.38) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL23994880 0.83 HTR2A (0.45) HTR2CHTR2ASLC6A4HTR2BHTR1A
SCHEMBL23994564 0.82 HTR2A (0.39) HTR2CHTR2AMAPK1HTR2BHTR1A
SCHEMBL23994874 0.81 SLC6A4 (0.36) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL25589567 0.81 HTR2A (0.32) HTR2CHTR2AHTR2BKMO
SCHEMBL23994573 0.81 NT5E (0.36) MAPK1CHRNB2CHRNA4
SCHEMBL23993255 0.81 CHRNB2 (0.36) SLC6A4CHRNB2CHRNA4
SCHEMBL25004763 0.80 PDE1C (0.43) HTR2CHTR2ASLC6A4SLC6A2SLC6A3

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-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO disclosed
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