SCHEMBL19371573

SCHEMBL19371573

Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ccnc1C#N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 20/20 0.63
▸ DRD5 P21918 2/20 0.54
▸ ADRB2 P07550 1/20 0.54
▸ CHRM2 P08172 1/20 0.54
▸ ADRB1 P08588 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ ADRA2A P08913 1/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ CNR1 P21554 1/20 0.54
▸ DRD4 P21917 1/20 0.54
▸ HRH2 P25021 1/20 0.54
▸ HTR1D P28221 1/20 0.54
▸ HTR1B P28222 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ HTR1E P28566 1/20 0.54
▸ HTR7 P34969 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ ADRA1B P35368 1/20 0.54

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
SCHEMBL19371622 0.90 DRD1 (0.54) DRD1DRD5ADRB2CHRM2ADRB1
SCHEMBL19371587 0.89 DRD1 (0.71) DRD1DRD5ADRB2CHRM2ADRB1
SCHEMBL19371642 0.86 DRD1 (0.60) DRD1DRD5ADRB2CHRM2ADRB1
SCHEMBL19371709 0.84 DRD1 (0.71) DRD1DRD5ADRB2CHRM2ADRB1
SCHEMBL15688310 0.81 DRD1 (0.82) DRD1DRD5ADRB2CHRM2ADRB1
SCHEMBL19371699 0.81 DRD1 (0.76) DRD1DRD5ADRB2CHRM2ADRB1
SCHEMBL17074078 0.81 DRD1 (0.72) DRD1DRD5ADRB2CHRM2ADRB1
SCHEMBL19371735 0.81 DRD1 (0.69) DRD1DRD5ADRB2CHRM2ADRB1
SCHEMBL19371602 0.81 DRD1 (0.69) DRD1DRD5ADRB2CHRM2ADRB1
SCHEMBL19371612 0.79 DRD1 (0.69) DRD1DRD5ADRB2CHRM2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323821-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc (US) 2018-05-23 — — EP disclosed
EP-2917219-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2017-09-27 — — EP disclosed
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