SCHEMBL7412967

SCHEMBL7412967

COc1cc2[nH]c3c(c2cc1OC)CC(N(C)C)CC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR1F P30939 1/20 0.47
HTR1D P28221 4/20 0.45
HTR1B P28222 4/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HTR1A P08908 1/20 0.40
MAPK10 P53779 1/20 0.40
RIPK1 Q13546 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7409396 0.83 HTR1B (0.47) HTR1DHTR1BHTR1AMAPK10RIPK1
SCHEMBL7404381 0.82 HTR1F (0.50) CHRM2CHRM1CHRM3HTR1FHTR1D
SCHEMBL7407989 0.82 HTR1D (0.55) HTR1FHTR1DHTR1BHTR1AMEN1
SCHEMBL7403551 0.82 HTR1D (0.69) HTR1FHTR1DHTR1BMEN1KMT2A
SCHEMBL12129620 0.81 HTR1F (0.56) CHRM2CHRM1CHRM3HTR1FHTR1D
SCHEMBL11418721 0.81 HTR1F (0.52) CHRM3HTR1FHTR1DHTR1BDRD2
Hydrochloric Acid SCHEMBL7405179 0.81 HTR1D (0.54) HTR1FHTR1DHTR1BHTR1AMEN1
Hydrochloric Acid SCHEMBL11432883 0.80 HTR1F (0.51) CHRM3HTR1FHTR1DHTR1BDRD2
SCHEMBL7412936 0.78 HTR1D (0.57) HTR1FHTR1DHTR1BHTR1AMEN1
SCHEMBL11418717 0.78 HTR1F (0.48) HTR1FHTR1DHTR1BMEN1KMT2A

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