SCHEMBL7404381

SCHEMBL7404381

Cc1cc2[nH]c3c(c2cc1C)CC(N(C)C)CC3

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.50
HTR1B P28222 7/20 0.42
HTR1D P28221 7/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
CHRM3 P20309 2/20 0.36
NR2E1 Q9Y466 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A4 P31645 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
SCHEMBL7413233 0.89 HTR1F (0.52) HTR1FHTR1BHTR1DKMT2AMEN1
Hydrochloric Acid SCHEMBL7408517 0.88 HTR1F (0.51) HTR1FHTR1BHTR1DKMT2AMEN1
Hydrochloric Acid SCHEMBL7410143 0.88 HTR1F (0.48) HTR1FHTR1BHTR1DKMT2AMEN1
SCHEMBL11418721 0.84 HTR1F (0.52) HTR1FHTR1BHTR1DKMT2AMEN1
SCHEMBL7407453 0.83 HTR1F (0.48) HTR1FHTR1BHTR1DCHRM3NR2E1
SCHEMBL7403681 0.83 HTR1F (0.56) HTR1FHTR1BHTR1DKMT2ASLC6A4
Hydrochloric Acid SCHEMBL11432883 0.83 HTR1F (0.51) HTR1FHTR1BHTR1DKMT2AMEN1
SCHEMBL7412967 0.82 CHRM2 (0.48) HTR1FHTR1BHTR1DKMT2AMEN1
SCHEMBL11419087 0.80 HTR1F (0.53) HTR1FHTR1BHTR1DKMT2AMEN1
SCHEMBL7407128 0.79 HTR1F (0.67) HTR1FHTR1BHTR1DKMT2ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087946-A1 ARYL ALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-04-04 EP disclosed
WO-1999065880-A1 ARYL ALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 1999-12-23 WO disclosed
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