SCHEMBL7026318

SCHEMBL7026318

COc1ccc(CCNC2CCC(c3ccccc3O)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
SMPD1 P17405 1/20 0.46
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GRIN2B Q13224 5/20 0.44
GRIN1 Q05586 2/20 0.44
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL7033938 0.93 GRIN2B (0.53) KMT2APOLBSMPD1GRIN2BGRIN1
SCHEMBL5560596 0.83 POLB (0.65) KMT2APOLBALDH1A1GRIN2BGRIN1
SCHEMBL6483020 0.80 KMT2A (0.51) KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL6483016 0.80 KMT2A (0.51) KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL6496123 0.80 KMT2A (0.51) KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL3692058 0.79 KMT2A (0.58) KMT2APOLBADRA1DADRA1AADRA1B
SCHEMBL3692055 0.79 KMT2A (0.58) KMT2APOLBADRA1DADRA1AADRA1B
SCHEMBL787034 0.77 KDM4E (0.67) KMT2APOLBALDH1A1KDM4E
SCHEMBL5561766 0.76 KDM4E (0.65) KMT2APOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL9995215 0.75 KMT2A (0.60) KMT2APOLBALDH1A1KDM4ESMN1; SMN2

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-1278716-A1 CYCLOHEXYLAMINE DERIVATIVE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-01-29 EP disclosed
WO-2001081295-A1 CYCLOHEXYLAMINE DERIVATIVE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-11-01 WO disclosed