SCHEMBL4610698

SCHEMBL4610698

CC(C)(C)C1(c2ccccc2)CNC(=O)N1C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTR6 P50406 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2D Q13557 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
CHRM2 P08172 3/20 0.33
CHRM3 P20309 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL4626507 1.00 NSD3 (0.36) NSD3KDM1AMAOAKDM4EHTR6
SCHEMBL4552557 0.85 OPRM1 (0.34) CHRM2CHRM3OPRM1
SCHEMBL5179386 0.79 GRIN1 (0.38) NSD3KDM1AMAOAKDM4EHTR6
SCHEMBL4415834 0.78 BACE1 (0.36) NSD3KDM4ECHRM2CHRM3
SCHEMBL4595948 0.78 BACE1 (0.36) NSD3KDM4ECHRM2CHRM3
SCHEMBL4597510 0.76 KDM4E (0.32) NSD3KDM1AMAOAKDM4ECHRM3
SCHEMBL4596041 0.76 KDM4E (0.32) NSD3KDM1AMAOAKDM4ECHRM3
SCHEMBL4597467 0.74 KDM4E (0.31) NSD3KDM4EPRKCGPRKCBPRKCA
SCHEMBL4598182 0.73 GRIN1 (0.36) NSD3KDM1AMAOAKDM4ECHRM2
SCHEMBL4429230 0.73 MMP2 (0.35) NSD3KDM1AMAOAKDM4EOPRM1

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed