SCHEMBL4007693

SCHEMBL4007693

CCOC(=O)Oc1c(C)nc(-c2ccc(Cl)cc2)nc1OCC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.42
CNR2 P34972 3/20 0.40
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TARBP2 Q15633 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4009317 0.96 CNR1 (0.40) CNR1CNR2KCNH2SIGMAR1CYP1A2
SCHEMBL4014101 0.84 ALDH1A1 (0.41) CNR1CNR2LMNACYP1A2POLB
SCHEMBL8040695 0.84 CNR1 (0.46) CNR1CNR2LMNACYP1A2POLB
SCHEMBL8037790 0.80 CNR1 (0.46) CNR1CNR2KCNH2SIGMAR1POLB
SCHEMBL4011709 0.80 MAPT (0.41) KCNH2SIGMAR1LMNACYP1A2POLB
SCHEMBL8031451 0.79 KDM4E (0.46) CNR1LMNACYP1A2POLBRAB9A
SCHEMBL8034897 0.76 KDM4E (0.46) CNR1CNR2KCNH2SIGMAR1POLB
SCHEMBL4010115 0.74 MAPT (0.39) CNR1LMNACYP1A2POLBRAB9A
SCHEMBL4009770 0.73 MAPT (0.37) KCNH2SIGMAR1LMNACYP1A2POLB
SCHEMBL4011731 0.72 MAPT (0.41) LMNACYP1A2RAB9ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed