SCHEMBL4681085

SCHEMBL4681085

CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2[CH]Cc3ccccc3C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 1/20 0.47
TACR1 P25103 1/20 0.47
MC4R P32245 12/20 0.45
NPY5R Q15761 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.43
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4531987 0.91 TACR1 (0.56) LMNAGLATSHRTACR1MC4R
SCHEMBL4681339 0.87 MC4R (0.47) LMNAGLATSHRMC4RSMN1; SMN2
SCHEMBL4681379 0.82 MC4R (0.49) LMNAGLATSHRMC4R
SCHEMBL4684460 0.82 MC4R (0.55) MC4R
SCHEMBL4681340 0.81 MC4R (0.51) MC4R
SCHEMBL4677982 0.81 MC4R (0.43) LMNAGLATSHRMC4R
SCHEMBL4784715 0.80 MC4R (0.45) LMNAGLATSHRMC4R
SCHEMBL6156128 0.80 AKT1 (0.57) LMNAGLATSHRTACR1MC4R
SCHEMBL4504452 0.80 AKT1 (0.57) LMNAGLATSHRTACR1MC4R
SCHEMBL4514596 0.80 AKT1 (0.57) LMNAGLATSHRTACR1MC4R

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-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed