SCHEMBL31663017

SCHEMBL31663017

C#CC(O)(c1ccccc1)[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ CYP2D6 P10635 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ HTR2A P28223 1/20 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
SCHEMBL11077864 0.71 CYP2D6 (0.46) CRHBPCRHR2CYP2D6ALDH1A1CYP2C19
SCHEMBL29212985 0.69 CACNA2D1 (0.40) CRHBPCRHR2CYP2D6ALDH1A1CYP2C19
SCHEMBL10981113 0.68 TSHR (0.38) CRHBPCRHR2CYP2D6ALDH1A1CYP2C19
SCHEMBL28606840 0.67 ALDH1A1 (0.43) ALDH1A1CYP2C19CYP1A2KMT2ATSHR
SCHEMBL26105458 0.67 ALDH1A1 (0.43) ALDH1A1CYP2C19CYP1A2KMT2ATSHR
SCHEMBL127044 0.67 ALDH1A1 (0.43) ALDH1A1CYP2C19CYP1A2KMT2ATSHR
SCHEMBL16550589 0.66 TSHR (0.43) CRHBPCRHR2ALDH1A1CYP2C19CYP1A2
SCHEMBL362964 0.66 TSHR (0.43) ALDH1A1CYP2C19CYP1A2KDM4EPABPC1
SCHEMBL18133808 0.66 TSHR (0.43) CRHBPCRHR2ALDH1A1CYP2C19CYP1A2
SCHEMBL29211084 0.66 TSHR (0.43) CRHBPCRHR2ALDH1A1CYP2C19CYP1A2

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-2025149498-A1 BENZYLPIPERIDINE DERIVATIVES AS TRP4 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2025-07-17 — — WO disclosed
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