SCHEMBL14413530

SCHEMBL14413530

NC(=O)N1CCC(Oc2ccc(N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
SRD5A1 P18405 1/20 0.47
SRD5A2 P31213 1/20 0.46
KMT2A Q03164 1/20 0.44
EPHX2 P34913 7/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
CHEK2 O96017 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
SCHEMBL13890314 0.87 EPHX2 (0.55) PARP10SRD5A1EPHX2HRH3
SCHEMBL14412821 0.87 EPHX2 (0.57) SRD5A1EPHX2
SCHEMBL213590 0.87 SRD5A1 (0.50) PARP10SRD5A1SRD5A2KMT2AEPHX2
SCHEMBL14413606 0.86 SRD5A1 (0.64) PARP10SRD5A1SRD5A2KMT2AEPHX2
SCHEMBL9013886 0.85 CASP6 (0.53) PARP10SRD5A1SRD5A2KMT2AHRH3
SCHEMBL4603682 0.84 LMNA (0.55) KMT2AHRH3POLB
Hydrochloric Acid SCHEMBL9014030 0.84 CASP6 (0.51) PARP10SRD5A1SRD5A2KMT2AHRH3
SCHEMBL3222147 0.83 EPHX2 (0.58) PARP10SRD5A1EPHX2HRH3
SCHEMBL14413534 0.82 GPR119 (0.63) EPHX2HRH3GPR119
SCHEMBL21814302 0.81 NAMPT (0.59) KMT2AHRH3ALDH1A1POLB

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
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO disclosed