SCHEMBL7408398

SCHEMBL7408398

COc1ccc(-c2ccc3c(c2)c2c(n3Cc3ccc(C)cc3)CCC(O)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.48
HRH1 P35367 1/20 0.45
EGFR P00533 1/20 0.43
IGF1R P08069 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
PTGS2 P35354 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ESR1 P03372 3/20 0.40
MCHR1 Q99705 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL7403808 0.82 HTR6 (0.45) HTR6HRH1PTGS2HDAC1HDAC6
SCHEMBL7409172 0.82 HDAC1 (0.42) HTR6PTGS2HDAC1HDAC6PTGDR2
SCHEMBL3859121 0.76 HTR6 (0.67) HTR6HRH1PTGS2PTGDR2
SCHEMBL7409734 0.75 MAPT (0.47) HTR6LMNAHTT
SCHEMBL3140058 0.70 HTR6 (0.59) HTR6HRH1EGFRIGF1RFLT4
SCHEMBL28074399 0.70 HDAC6 (0.49) EGFRIGF1RFLT4KDRHDAC6
SCHEMBL7411294 0.69 DRD3 (0.58) HTR6HDAC1HDAC6PTGDR2KDM4E
SCHEMBL7413587 0.69 CA1 (0.57) HTR6HDAC1HDAC6PTGDR2
SCHEMBL1879444 0.67 HTR6 (0.51) HTR6HDAC1HDAC6PTGDR2
SCHEMBL7408166 0.67 HTR6 (0.59) HTR6HRH1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed