SCHEMBL8632028

SCHEMBL8632028

COc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)N1c2ccc(Cl)cc2CCC(CCN2CCCCC2)C1CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
AVPR2 P30518 3/20 0.40
LMNA P02545 4/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
S1PR1 P21453 2/20 0.38
MCHR1 Q99705 3/20 0.38
KMT2A Q03164 1/20 0.38
KDR P35968 1/20 0.38
AVPR1A P37288 1/20 0.37
AVPR1B P47901 1/20 0.37
TP53 P04637 1/20 0.37
MCHR2 Q969V1 2/20 0.37

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
SCHEMBL8633995 0.87 MAPT (0.38) GRM4AVPR2HSD17B10CHRM5CHRM1
SCHEMBL8634664 0.86 GRM4 (0.46) GRM4HSD17B10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8632058 0.78 ALDH1A1 (0.43) GRM4AVPR2LMNAHSD17B10CHRM5
SCHEMBL8633396 0.78 CHRM5 (0.41) GRM4AVPR2LMNAHSD17B10CHRM5
SCHEMBL8628426 0.78 LMNA (0.44) GRM4AVPR2LMNAHSD17B10CHRM5
SCHEMBL8631926 0.78 AVPR2 (0.44) GRM4AVPR2LMNAHSD17B10CHRM5
Hydrochloric Acid SCHEMBL8661678 0.76 AVPR2 (0.52) AVPR2LMNACHRM5CHRM1CHRM3
SCHEMBL8632070 0.76 GRM4 (0.40) GRM4AVPR2LMNAHSD17B10CHRM5
Hydrochloric Acid SCHEMBL8631929 0.75 AVPR2 (0.51) AVPR2LMNACHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL8634036 0.75 AVPR2 (0.51) AVPR2LMNACHRM5CHRM1CHRM3

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
US-5705333-A Peptide-based nucleic acid mimics(PENAMS) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-01-06 US disclosed
WO-1996004000-A1 PEPTIDE-BASED NUCLEIC ACID MIMICS (PENAMs) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-02-15 WO disclosed