SCHEMBL6166782

SCHEMBL6166782

CC1(C)CC(NC(=O)C(N)Cc2ccccc2)CC(C)(C)N1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.52
EZH2 Q15910 5/20 0.51
USP2 O75604 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45

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
SCHEMBL17800950 0.93 POLB (0.57) POLBTSHRHTTGAAKMT2A
SCHEMBL25060205 0.93 POLB (0.57) POLBTSHRHTTGAAKMT2A
SCHEMBL16431557 0.85 ALPI (0.45) POLBALPIPKMPTGS1XIAP
SCHEMBL630660 0.83 TSHR (0.57) POLBTSHRHTTKMT2AEZH2
SCHEMBL631684 0.80 POLB (0.51) POLBTSHRHTTKMT2AEZH2
SCHEMBL25060405 0.80 POLB (0.46) POLBTSHRHTTGAAKMT2A
SCHEMBL14417240 0.79 ALPI (0.50) KDM4EALPIPKMPTGS1XIAP
SCHEMBL6166506 0.78 TDP1 (0.61) KDM4EALPIPKMPTGS1XIAP
SCHEMBL3006748 0.77 XIAP (0.51) TSHRGAAKDM4EALPIPKM
SCHEMBL353959 0.77 TDP1 (0.64) TSHRKDM4EALPIPKMPTGS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed