SCHEMBL4685757

SCHEMBL4685757

COc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)N1c2ccc(Cl)cc2C(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCC1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
NPY2R P49146 2/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR6 P50406 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
SCHEMBL4682920 0.89 HSD17B10 (0.43) MAPTNPY2RRAB9AKMT2ASMN1; SMN2
SCHEMBL4741540 0.87 CHRM1 (0.42) LMNARAB9AKMT2AALDH1A1HSD17B10
SCHEMBL7334875 0.86 GRM4 (0.45) MAPTRAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4684908 0.78 GRM4 (0.40) MAPTRAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9445082 0.78 TAS1R3 (0.43) MAPTRAB9AKMT2AALDH1A1ALOX15
SCHEMBL4685751 0.78 AVPR2 (0.51) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8631788 0.76 AVPR2 (0.53) CHRM5CHRM1CHRM3HTR1AHTR2C
SCHEMBL8900831 0.73 CHRM1 (0.42) MAPTNPY2RRAB9AKMT2ASMN1; SMN2
SCHEMBL4684933 0.72 AVPR2 (0.51) NPY2RKMT2ACHRM5CHRM1CHRM3
SCHEMBL4681775 0.72 AVPR2 (0.57) KMT2AALDH1A1CHRM1HTR1AHTR2C

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
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed