SCHEMBL9520731

SCHEMBL9520731

Nc1nc(-c2ccc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cs1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.74
HTR2A P28223 1/20 0.74
HTR2B P41595 1/20 0.74
SIGMAR1 Q99720 2/20 0.65
DRD2 P14416 4/20 0.63
ADRA1A P35348 3/20 0.63
DRD3 P35462 3/20 0.63
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
THPO P40225 1/20 0.59
MTOR P42345 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59

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
SCHEMBL9519068 0.93 ALDH1A1 (0.69) HTR2CHTR2AHTR2BSIGMAR1DRD2
SCHEMBL10520491 0.84 SIGMAR1 (0.56) HTR2CHTR2AHTR2BSIGMAR1DRD2
SCHEMBL9518868 0.83 SIGMAR1 (0.62) HTR2CHTR2AHTR2BSIGMAR1DRD2
SCHEMBL10519108 0.81 DRD2 (0.54) HTR2CHTR2AHTR2BSIGMAR1DRD2
SCHEMBL9521505 0.81 DRD2 (0.64) HTR2CHTR2AHTR2BSIGMAR1DRD2
SCHEMBL6619322 0.80 ALDH1A1 (0.71) HTR2CHTR2ASIGMAR1DRD2ALDH1A1
SCHEMBL9378627 0.80 SIGMAR1 (1.00) HTR2CSIGMAR1DRD2ADRA1ADRD3
SCHEMBL10518728 0.79 HTR1A (0.56) HTR2CHTR2AHTR2BSIGMAR1DRD2
SCHEMBL4928954 0.77 DRD2 (1.00) HTR2CHTR2ASIGMAR1DRD2ADRA1A
SCHEMBL9518921 0.77 HTR2A (0.73) HTR2CHTR2AHTR2BDRD2ADRA1A

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
JP-63060978-A None JP disclosed
EP-0279598-B1 ARYLPIPERAZINYL-ALKYLENE-PHENYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1993-09-15 EP disclosed
US-4891375-A Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1990-01-02 US disclosed
EP-0279598-A2 Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1988-08-24 EP disclosed
EP-0263782-A1 Esters of allyl-bicyclo[2,2,1]-hept-5-ene-2-carboxylic acid and their polymers CIBA-GEIGY AG (CH) 1988-04-13 EP disclosed
JP-S6360978-A AMINOTHIAZOLE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1988-03-17 JP disclosed