SCHEMBL9409443

SCHEMBL9409443

COC(=O)CCC1CCCCN1Cc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
PDE4B Q07343 1/20 0.42
GPR119 Q8TDV5 4/20 0.42
TP53 P04637 2/20 0.40
WNT3A P56704 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
ALDH1A1 P00352 1/20 0.39
STS P08842 2/20 0.39
EPHX1 P07099 1/20 0.38
CHRM4 P08173 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38

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
SCHEMBL9409650 0.83 CHRM4 (0.54) NAMPTGPR119TP53CHRM4
SCHEMBL25030059 0.81 NAMPT (0.54) NAMPTPDE4BGPR119TP53WNT3A
SCHEMBL14990343 0.79 NAMPT (0.56) NAMPTPDE4BGPR119TP53WNT3A
SCHEMBL9409411 0.77 NAMPT (0.47) NAMPTPDE4BGPR119TP53WNT3A
SCHEMBL5577703 0.75 NAMPT (0.57) NAMPTPDE4BGPR119TP53WNT3A
SCHEMBL14790769 0.74 NAMPT (0.56) NAMPTPDE4BGPR119TP53WNT3A
SCHEMBL10243179 0.74 NAMPT (0.58) NAMPTPDE4BGPR119TP53WNT3A
SCHEMBL2252152 0.74 GPR119 (0.60) NAMPTPDE4BGPR119TP53WNT3A
SCHEMBL9409500 0.74 HDAC4 (0.48) NAMPTGPR119HDAC6
SCHEMBL25030057 0.73 NAMPT (0.53) NAMPTPDE4BGPR119TP53WNT3A

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-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed