SCHEMBL4701026

SCHEMBL4701026

COc1ccc2[nH]c(C)c(CCN=C(N)NN=CCCCc3c[nH]c4ccccc34)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.48
HTR6 P50406 3/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
DRD2 P14416 2/20 0.48
ADRA2B P18089 2/20 0.48
DRD4 P21917 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
ADRA1A P35348 2/20 0.48
OPRM1 P35372 2/20 0.48
DRD3 P35462 2/20 0.48
HTR2B P41595 2/20 0.48
HTR3A P46098 2/20 0.48
HTR5A P47898 2/20 0.48
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
PGR P06401 1/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48

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
SCHEMBL4700117 0.90 HTR1A (0.53) HTR1AHTR6ADRB1ADRB3DRD2
SCHEMBL4699091 0.85 RXFP3 (0.64) HTR1AHTR6ADRB1ADRB3DRD2
SCHEMBL4697190 0.82 HTR6 (0.55) HTR1AHTR6ADRB1ADRB3DRD2
SCHEMBL4699037 0.78 ADORA2A (0.51) HTR1AHTR6HTR2AHTR2CHTR7
SCHEMBL4700168 0.75 ADORA2A (0.47) HTR1AHTR6HTR2AHTR2CSLC6A4
SCHEMBL4701665 0.74 ALDH1A1 (0.49) HTR6RXFP3SMN1; SMN2
SCHEMBL4697805 0.73 ADORA2A (0.60) HTR1AHTR6HTR2AHTR2CHTR7
SCHEMBL7976809 0.69 MTNR1A (0.58) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL4700992 0.66 RXFP3 (0.66) HTR1AHTR6ADRB1ADRB3DRD2
SCHEMBL4700115 0.66 HTR1A (0.45) HTR1AHTR2AHTR2BHRH3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US claimed
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP disclosed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed