SCHEMBL4014720

SCHEMBL4014720

CCOC(=O)c1c(Cl)c(C)nn1CC(O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
ABCB1 P08183 3/20 0.41
CCR1 P32246 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CETP P11597 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL2873189 0.82 CCR1 (0.59) KMT2AMEN1SMN1; SMN2TSHRLMNA
SCHEMBL2943824 0.72 KMT2A (0.61) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL2875548 0.72 CCR1 (0.55) KMT2AMEN1SMN1; SMN2TSHRLMNA
SCHEMBL23732123 0.72 ALDH1A1 (0.54) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL14039675 0.72 CCR1 (0.63) KMT2AMEN1POLBTSHRLMNA
SCHEMBL3958179 0.71 OPRD1 (0.55) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL2878654 0.69 CCR1 (0.51) KMT2AMEN1SMN1; SMN2TSHRLMNA
SCHEMBL8334018 0.68 MAPT (0.49) KMT2AMEN1POLBSMN1; SMN2TSHR
SCHEMBL22582787 0.68 KMT2A (0.53) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL27662975 0.68 CCR1 (0.48) KMT2AMEN1TSHRMAPTCCR1

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
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed