SCHEMBL8056798

SCHEMBL8056798

CC(C)(C)OC(=O)N1CCC(c2nc(C3=CCCC=C3)c(-c3ccccc3)o2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
THRB P10828 2/20 0.47
GAA P10253 1/20 0.47
HPGDS O60760 2/20 0.43
FAAH O00519 2/20 0.43
MAPT P10636 2/20 0.43
GPR119 Q8TDV5 2/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.40
HTR2B P41595 1/20 0.39
PRMT5 O14744 1/20 0.39

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
SCHEMBL7915792 0.93 SMN1; SMN2 (0.47) SMN1; SMN2THRBGAAHPGDSFAAH
SCHEMBL558040 0.87 SMN1; SMN2 (0.55) SMN1; SMN2THRBGAAHPGDSFAAH
SCHEMBL3102619 0.81 SMN1; SMN2 (0.50) SMN1; SMN2THRBGAAHPGDSFAAH
SCHEMBL3104584 0.76 HTT (0.56) SMN1; SMN2THRBGAAFAAHMAPT
SCHEMBL209179 0.73 NR4A2 (0.46) SMN1; SMN2THRBGAAFAAHCKS1B
SCHEMBL3088419 0.73 HTT (0.52) SMN1; SMN2FAAHMAPTGPR119MEN1
SCHEMBL440844 0.72 SMN1; SMN2 (0.65) SMN1; SMN2THRBGAAHPGDSMAPT
SCHEMBL1653518 0.72 TUBB4A (0.60) SMN1; SMN2THRBGAAHPGDSFAAH
SCHEMBL27811555 0.72 NR4A2 (0.48) THRBPOLBKDM4EHTR2B
SCHEMBL16597919 0.72 BTK (0.49) SMN1; SMN2THRBGAAHPGDSFAAH

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-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed