SCHEMBL20376461

SCHEMBL20376461

Cc1cccc2c(OCC3CC3)c(F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CXCR5 P32302 1/20 0.37
▸ HTR1A P08908 5/20 0.36
▸ SLC6A2 P23975 4/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ HTR4 Q13639 2/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ LPAR1 Q92633 1/20 0.33
▸ LPAR5 Q9H1C0 1/20 0.33

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
SCHEMBL21690528 0.83 RIPK1 (0.38) HTR1ASLC6A2SLC6A4HTR2CHTR7
SCHEMBL21325057 0.82 RIPK1 (0.37) HTR1AHTR2CHTR7HTR2BHTR3A
SCHEMBL20204677 0.80 PDE2A (0.37) ALOX5APFEN1PDE10A
SCHEMBL879145 0.76 RIPK1 (0.47) CYP1A2CYP2A6HTR2CPDE10ABRD4
SCHEMBL21325059 0.73 PDE3B (0.35) HTR1AHTR2CHTR7HTR2BHTR3A
SCHEMBL21325503 0.72 FFAR4 (0.33) HTR2CHTR2BHTR3AHTR4ALOX5AP
SCHEMBL20202028 0.71 PIK3R1 (0.39) HTR2CHTR7HTR2BHTR3AHTR4
SCHEMBL24153922 0.70 RIPK1 (0.47) HTR1ASLC6A2SLC6A4HTR2CHTR2B
SCHEMBL24180249 0.70 FEN1 (0.41) HTR1ASLC6A2SLC6A4ALOX5APFEN1
SCHEMBL8232372 0.70 THRA (0.36) HTR1ASLC6A2SLC6A4ALOX5APFEN1

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-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 — — WO disclosed
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