SCHEMBL1031653

SCHEMBL1031653

Cc1ccc(Cn2cc(C)c(-c3ccc(C)cc3)c2C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.51
POLB P06746 4/20 0.51
CNR2 P34972 2/20 0.50
LMNA P02545 5/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
CNR1 P21554 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL1032620 0.84 HTT (0.53) HTTPOLBCNR2LMNAMAPT
SCHEMBL1028177 0.84 CNR2 (0.48) POLBCNR2LMNAMAPTSMN1; SMN2
SCHEMBL1031812 0.81 HPGD (0.49) HTTPOLBCNR2LMNAMAPT
SCHEMBL1029485 0.80 HSD11B1 (0.46) CNR2ALDH1A1CNR1
SCHEMBL1031603 0.79 CNR2 (0.47) HTTPOLBCNR2LMNAMAPT
SCHEMBL1029042 0.78 LMNA (0.44) HTTPOLBCNR2LMNAMAPT
SCHEMBL1032537 0.78 CNR2 (0.53) CNR2SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1028758 0.77 GRIN2B (0.44) CNR2MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1031174 0.77 CNR2 (0.39) POLBCNR2LMNASMN1; SMN2ALDH1A1
SCHEMBL1027171 0.76 SMN1; SMN2 (0.45) POLBCNR2LMNASMN1; SMN2ALDH1A1

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-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP disclosed