SCHEMBL31358013

SCHEMBL31358013

CC(C)(C)OC(=O)N1CCC=C(c2coc3cc(F)ccc23)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.38
▸ CDK9 P50750 8/20 0.38
▸ CCNT1 O60563 6/20 0.38
▸ WDR5 P61964 2/20 0.38
▸ ESR2 Q92731 1/20 0.37
▸ ALDH2 P05091 2/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ GRM5 P41594 2/20 0.36
▸ GRM1 Q13255 2/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 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
SCHEMBL31358040 0.85 ALDH2 (0.42) DGAT2ESR2ALDH2
SCHEMBL31357908 0.85 MAPK1 (0.41) DGAT2ESR2NR1H2
SCHEMBL31357996 0.82 WDR5 (0.39) DGAT2CDK9CCNT1WDR5ESR2
SCHEMBL31357889 0.82 DGAT2 (0.38) DGAT2CDK9CCNT1WDR5ESR2
SCHEMBL31287991 0.81 KDM1A (0.41) KDM1ACDK9CCNT1ESR2NR1H2
SCHEMBL31358058 0.80 DGAT2 (0.40) DGAT2CDK9CCNT1WDR5ESR2
SCHEMBL31358074 0.80 DGAT2 (0.39) KDM1ADGAT2CDK9CCNT1WDR5
SCHEMBL31358097 0.79 IRAK4 (0.41) DGAT2ALDH2
SCHEMBL3642252 0.74 PDK4 (0.47) DGAT2CDK9CCNT1WDR5ESR2
SCHEMBL31357884 0.74 DGAT2 (0.40) DGAT2WDR5ESR2NR1H2

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-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 — — WO disclosed
Send feedback