SCHEMBL20201613

SCHEMBL20201613

C[C@H]1CCc2cc(F)c(CCC3CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
HTR2C P28335 9/20 0.36
HTR2A P28223 8/20 0.36
HTR2B P41595 1/20 0.36
MAOA P21397 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL20207828 0.72 SCN9A (0.40) HTR2CHTR2AHTR2B
SCHEMBL26179883 0.68 HTR2A (0.39) HTR2CHTR2AHTR2BMAOA
SCHEMBL18590584 0.67 KDM1A (0.42) HTR2CHTR2AHTR2B
SCHEMBL17269813 0.67 KDM4E (0.39) HTR2CHTR2AHTR2B
SCHEMBL20201610 0.67 ADRA1A (0.36)
SCHEMBL20376449 0.67 ADRA1A (0.36)
SCHEMBL20015310 0.66 MAOB (0.54) MAOBHTR2CHTR2ASLC6A4
SCHEMBL18374089 0.66 MAOB (0.40) MAOBHTR2CHTR2AMAOASLC6A4
SCHEMBL8153366 0.66 HTR2A (0.56) HTR2CHTR2ASLC6A4
SCHEMBL21019437 0.65 HTR2A (0.42) MAOBHTR2CHTR2AMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed