SCHEMBL6154886

SCHEMBL6154886

CC(C)c1nc2c(N)ncn(Cc3ccc(Cl)cc3)c-2n1.CCCn1cnc(NCC)c2nc(C3CC3)nc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.33
PDE10A Q9Y233 1/20 0.32
F2R P25116 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31

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
SCHEMBL1387909 0.82 KCNH2 (0.39) F2RCYP1A2CYP3A4CYP2C19HDAC3
Hydrochloric Acid SCHEMBL7028520 0.81 KCNH2 (0.38) F2RCYP1A2CYP3A4CYP2C19HDAC3
SCHEMBL8396714 0.78 CTSL (0.37) PDE10ACYP3A4
SCHEMBL6155699 0.78 KCNH2 (0.42) F2RCYP1A2CYP3A4CYP2C19
SCHEMBL1388150 0.78 PDE10A (0.44) PDE10A
SCHEMBL7382018 0.77 CTSL (0.36)
Hydrochloric Acid SCHEMBL7022609 0.77 PDE10A (0.43) PDE10A
SCHEMBL8397136 0.77 CTSL (0.35) PDE10A
SCHEMBL8397096 0.76 CTSL (0.41) PDE10A
SCHEMBL1387976 0.75 ADORA2A (0.38) PDE8BPDE10A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912575-B1 PROCESSES FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2005-02-02 EP disclosed
US-6310205-B1 Hypoxathine compounds EURO-CELTIQUE, S.A. (LU) 2001-10-30 US disclosed
EP-0912575-A4 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2001-04-25 EP disclosed
EP-0912575-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY Euro-Celtique S.A. (LU) 1999-05-06 EP disclosed
US-5864037-A Methods for the synthesis of chemical compounds having PDE-IV inhibitory activity EURO-CELTIQUE, S.A. (LU) 1999-01-26 US disclosed
WO-1997046561-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO-CELTIQUE, S.A. (LU) 1997-12-11 WO disclosed