SCHEMBL8720083

SCHEMBL8720083

CCOC(=O)Cc1cc(C)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 3/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 1/20 0.43
PDE4D Q08499 1/20 0.42
DAO P14920 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
FPR1 P21462 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 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
SCHEMBL7860349 0.85 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1CA12CA1
SCHEMBL3587984 0.84 KDM4E (0.48) SMN1; SMN2KDM4EALDH1A1LMNAMEN1
SCHEMBL28575636 0.83 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1CA12CA1
SCHEMBL23930792 0.82 ALPL (0.46) SMN1; SMN2KDM4EALDH1A1CA12CA1
SCHEMBL877436 0.78 HCAR2 (0.52) KDM4EALDH1A1MEN1KMT2ADAO
SCHEMBL12174907 0.78 HCAR2 (0.47) SMN1; SMN2LMNAKMT2ARAB9ADAO
SCHEMBL5327425 0.77 LMNA (0.56) SMN1; SMN2KDM4EALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL1371875 0.77 HCAR2 (0.50) KDM4EALDH1A1MEN1KMT2ADAO
SCHEMBL6507956 0.77 HCAR2 (0.46) SMN1; SMN2LMNAKMT2ADAOHCAR2
SCHEMBL24968328 0.76 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1209807-A 1-pyrazol-3-yl-ethyl-4-indol-3-yl piperdine as medicine acting on central nervous system MERCK PATENT AG (DE) 1999-03-03 CN disclosed
EP-0879234-A1 1-PYRAZOL-3-YL-ETHYL-4-INDOL-3-YL-PIPERIDINE USED AS MEDICINE ACTING ON THE CENTRAL NERVOUS SYSTEM MERCK PATENT GmbH (DE) 1998-11-25 EP disclosed
WO-1997027186-A1 1-PYRAZOL-3-YL-ETHYL-4-INDOL-3-YL-PIPERIDINE USED AS MEDICINE ACTING ON THE CENTRAL NERVOUS SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-07-31 WO disclosed