SCHEMBL11825896

SCHEMBL11825896

Cc1[nH]c2cc(F)ccc2c1CCCN1CCN(CCc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.46
▸ HTR1A P08908 5/20 0.46
▸ HTR2A P28223 4/20 0.46
▸ DRD3 P35462 4/20 0.46
▸ SIGMAR1 Q99720 4/20 0.46
▸ TMEM97 Q5BJF2 3/20 0.46
▸ DRD1 P21728 2/20 0.46
▸ DRD5 P21918 2/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ CCR3 P51677 1/20 0.44
▸ HRH1 P35367 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ MPO P05164 1/20 0.42
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41

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
SCHEMBL11823642 0.94 SLC2A1 (0.46) DRD2HTR1AHTR2ADRD3SIGMAR1
SCHEMBL11826952 0.89 HTR1A (0.48) DRD2HTR1AHTR2ASIGMAR1TMEM97
SCHEMBL11552756 0.85 DRD2 (0.48) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL11822913 0.83 SIGMAR1 (0.47) DRD2HTR1AHTR2ASIGMAR1CCR3
SCHEMBL11828423 0.81 HTR1A (0.52) DRD2HTR1AHTR2ADRD3SIGMAR1
SCHEMBL11827870 0.81 SIGMAR1 (0.58) HTR1ASIGMAR1
SCHEMBL11834202 0.79 DRD2 (0.61) DRD2HTR1AHTR2ADRD3SIGMAR1
SCHEMBL11829630 0.78 SIGMAR1 (0.56) DRD2HTR1AHTR2ASIGMAR1HRH1
SCHEMBL11834769 0.76 MEN1 (0.50) HTR1AHTR2ADRD3SIGMAR1DRD1
SCHEMBL11827651 0.75 HTR1A (0.51) DRD2HTR1AHTR2ASIGMAR1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933824-A Piperazinobutyrophenone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-20 — — US disclosed
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