SCHEMBL6183516

SCHEMBL6183516

COc1cccc(C2(CN)CCN(C(C=O)N3CCN(c4cnccn4)CC3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.43
NPY1R P25929 1/20 0.43
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
ACHE P22303 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SOAT1 P35610 1/20 0.36

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
SCHEMBL6183977 0.88 SLC6A4 (0.42) NPY1RKCNH2TP53ALDH1A1
SCHEMBL6183465 0.87 PTPN11 (0.40) LMNAL3MBTL1MAPTACHEALDH1A1
SCHEMBL6186273 0.85 KDM4E (0.48) NPY1RLMNAL3MBTL1MAPTALDH1A1
SCHEMBL6185063 0.82 AKT2 (0.43) MAPTACHE
SCHEMBL4814964 0.81 ALDH1A1 (0.48) KMT2AMEN1TSHRNPY1RLMNA
SCHEMBL6185472 0.77 KDM4E (0.48) LMNAL3MBTL1MAPTACHEALDH1A1
SCHEMBL6183506 0.75 KDM4E (0.47) NPY1RLMNAL3MBTL1MAPTACHE
SCHEMBL15056945 0.69 KMT2A (0.59) KMT2AOPRD1ALDH1A1SOAT1
SCHEMBL4812357 0.69 ALDH1A1 (0.61) KMT2AMEN1TSHRNPY1ROPRD1
SCHEMBL6153163 0.68 SOAT1 (0.57) NPY1ROPRD1KCNH2MAPTSOAT1

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-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed