SCHEMBL4739963

SCHEMBL4739963

C#CN(C)Cc1ccc(OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.64
APLNR P35414 2/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AOC3 Q16853 1/20 0.46
IDO1 P14902 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ACHE P22303 1/20 0.44
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
DRD1 P21728 1/20 0.43

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
SCHEMBL4739246 0.79 CALM1 (0.56) SMN1; SMN2AOC3IDO1MEN1KMT2A
SCHEMBL4611890 0.77 PYCR1 (0.69) PYCR1APLNRLMNAMAPTALDH1A1
SCHEMBL385286 0.77 HRH3 (0.58) PYCR1APLNRLMNAMAPTALDH1A1
SCHEMBL27210386 0.76 PYCR1 (0.72) PYCR1APLNRALDH1A1HTTSMN1; SMN2
SCHEMBL5270803 0.74 APLNR (0.59) PYCR1APLNRLMNAMAPTALDH1A1
SCHEMBL12049800 0.74 APLNR (0.59) PYCR1APLNRLMNAMAPTALDH1A1
SCHEMBL28074567 0.74 IDO1 (0.56) PYCR1APLNRLMNAMAPTALDH1A1
SCHEMBL10049173 0.74 AOC3 (0.66) PYCR1APLNRLMNAMAPTALDH1A1
SCHEMBL27995373 0.74 ALDH1A1 (0.56) PYCR1APLNRLMNAMAPTALDH1A1
SCHEMBL7297850 0.74 PYCR1 (0.55) PYCR1APLNRLMNAMAPTALDH1A1

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-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed