SCHEMBL22201802

SCHEMBL22201802

CCCCC1CC2CCC(C1)C(Cc1cccc(F)c1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM4 P08173 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM5 P08912 1/20 0.34
SLC6A3 Q01959 3/20 0.33
ADRA2C P18825 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HRH2 P25021 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL22201794 0.74 OPRL1 (0.32)
SCHEMBL22201793 0.71 ADORA2A (0.32) MEN1KMT2A
SCHEMBL22201773 0.70 SLC6A3 (0.51) CHRM4CHRM2CHRM5SLC6A3ADRA2C
SCHEMBL22201768 0.69 SPHK1 (0.34) KMT2A
SCHEMBL6452433 0.68 KDM1A (0.36) HTR2B
SCHEMBL6452440 0.68 KDM1A (0.36) HTR2B
SCHEMBL8375638 0.68 MAOA (0.53) SLC6A3MAOAMAOB
SCHEMBL11156621 0.66 KDM1A (0.39) MEN1KMT2ACHRM4
SCHEMBL11156616 0.66 KDM1A (0.39) MEN1KMT2ACHRM4
SCHEMBL16241618 0.66 HPGD (0.46)

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
US-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed