SCHEMBL7407705

SCHEMBL7407705

COc1cc(COC(=O)c2cccc3c4c([nH]c23)CCC(N(C)C)C4)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR1F P30939 1/20 0.39
PDE7A Q13946 2/20 0.38
PDE3A Q14432 2/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7B Q9NP56 1/20 0.38
TP53 P04637 2/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
ABCB1 P08183 1/20 0.35
GFER P55789 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL7417232 0.86 BRD4 (0.41) HTR1FSMN1; SMN2MAPTGFERALOX15
SCHEMBL7417151 0.84 HTR1F (0.47) CHRM2CHRM1CHRM3HTR1FTP53
SCHEMBL7409574 0.82 ALDH1A1 (0.45) HTR1FTP53GFERALOX15MAPK1
Hydrochloric Acid SCHEMBL7407346 0.81 ALDH1A1 (0.44) HTR1FTP53GFERALOX15MAPK1
SCHEMBL7412952 0.81 RAB9A (0.45) DRD2MAPTGFERALOX15MAPK1
SCHEMBL7409296 0.81 HTR6 (0.41) HTR1FTP53MAPT
SCHEMBL7417204 0.78 HTR1F (0.49) HTR1FTP53SMN1; SMN2MAPTABCB1
SCHEMBL7409117 0.76 GFER (0.59) CHRM2CHRM1CHRM3HTR1FMAPT
SCHEMBL7410680 0.75 ALOX15 (0.60) CHRM2CHRM1CHRM3HTR1FTP53
Water SCHEMBL7414567 0.75 GFER (0.57) CHRM2CHRM1CHRM3HTR1FMAPT

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