SCHEMBL7364019

SCHEMBL7364019

COC(=O)COc1ccc(C2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.49
NAMPT P43490 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 3/20 0.45
TP53 P04637 3/20 0.45
CHRM4 P08173 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL7358222 0.86 GPR119 (0.51) GPR119ALDH1A1LMNAMAPT
SCHEMBL8473886 0.84 GPR119 (0.68) GPR119NAMPTALDH1A1
SCHEMBL8473888 0.84 GPR119 (0.68) GPR119NAMPTALDH1A1
Hydrochloric Acid SCHEMBL7365888 0.82 DRD2 (0.44) ALDH1A1CHRM4
SCHEMBL4513559 0.81 GPR119 (0.70) GPR119NAMPTLMNATP53CHRM4
SCHEMBL8473977 0.81 GPR119 (0.46) GPR119ALDH1A1CHRM4KDM4EPKM
SCHEMBL4510819 0.80 GPR119 (0.71) GPR119
SCHEMBL8473456 0.79 GPR119 (0.49) GPR119NAMPTALDH1A1KDM4EPKM
SCHEMBL8473460 0.79 GPR119 (0.49) GPR119NAMPTALDH1A1KDM4EPKM
SCHEMBL9409650 0.78 CHRM4 (0.54) GPR119NAMPTLMNATP53CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed