SCHEMBL8633396

SCHEMBL8633396

CNC(=O)N1CCN(CCC2CCCc3cc(Cl)ccc3N2C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
AVPR2 P30518 4/20 0.40
GRM4 Q14833 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 2/20 0.40
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RBP4 P02753 2/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL8628426 0.92 LMNA (0.44) CHRM5CHRM1CHRM3AVPR2GRM4
SCHEMBL8632058 0.90 ALDH1A1 (0.43) CHRM5CHRM1CHRM3AVPR2GRM4
Hydrochloric Acid SCHEMBL8631929 0.86 AVPR2 (0.51) CHRM5CHRM1CHRM3AVPR2LMNA
Hydrochloric Acid SCHEMBL8634036 0.83 AVPR2 (0.51) CHRM5CHRM1CHRM3AVPR2LMNA
SCHEMBL4685266 0.82 AVPR2 (0.51) CHRM5CHRM1CHRM3AVPR2GRM4
Hydrochloric Acid SCHEMBL8661678 0.82 AVPR2 (0.52) CHRM5CHRM1CHRM3AVPR2LMNA
SCHEMBL8632070 0.82 GRM4 (0.40) CHRM5CHRM1CHRM3AVPR2GRM4
SCHEMBL8632575 0.81 AVPR2 (0.46) CHRM5CHRM1CHRM3AVPR2LMNA
SCHEMBL8631926 0.81 AVPR2 (0.44) CHRM5CHRM1CHRM3AVPR2GRM4
SCHEMBL8630591 0.80 AVPR2 (0.48) CHRM1AVPR2HSD17B10MAPK1LMNA

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-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed