SCHEMBL30688863

SCHEMBL30688863

Fc1ccc(OCC(F)F)c(CNC2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.45
▸ NTRK3 Q16288 5/20 0.45
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KCNH2 Q12809 3/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ SLC6A4 P31645 1/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ BCHE P06276 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
SCHEMBL2471248 0.82 KDM1A (0.59) HTR2AHTR2CHTR2BKDM1AMAOA
SCHEMBL29125465 0.82 HTR2A (0.41) HTR2AHTR2CHTR2BKDM1AMAOA
SCHEMBL28613921 0.82 ALDH1A1 (0.44) NTRK1HTR2AHTR2CHTR2BKDM1A
SCHEMBL28921076 0.75 NTRK1 (0.42) NTRK1NTRK3HTR2AHTR2CHTR2B
SCHEMBL30933758 0.75 NPBWR1 (0.48) HTR2AKDM1AMAOAMAOBMEN1
SCHEMBL30933761 0.75 NPBWR1 (0.48) HTR2AKDM1AMAOAMAOBMEN1
SCHEMBL30873498 0.72 ALDH1A1 (0.47) HTR2AMEN1KMT2AKDM4EHTT
SCHEMBL30802465 0.72 BCHE (0.63) HTR2AHTR2CKDM1AKDM4ESLC6A4
SCHEMBL16767313 0.70 BACE1 (0.38) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL23105979 0.69 BCHE (0.47) HTR2AHTR2CHTR2BMEN1KMT2A

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
CN-113278022-B Pyrazolopyrimidine compound, pharmaceutical composition and application thereof 南京纳丁菲医药科技有限公司 2023-12-12 — — CN disclosed
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