SCHEMBL7361447

SCHEMBL7361447

COc1ccc(C(C)O)cc1C1CC2CCC1C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HIF1A Q16665 1/20 0.38
PDE4B Q07343 6/20 0.37
PDE4A P27815 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
HTR2A P28223 1/20 0.37
HSP90AA1 P07900 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTR2C P28335 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL7330534 0.78 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL11582196 0.78 HSP90AA1 (0.43) KMT2AMEN1POLBGAAPDE4B
SCHEMBL27628783 0.74 MEN1 (0.53) KMT2AMEN1POLBGAASLC6A3
SCHEMBL20970900 0.69 HTR2A (0.52) HTR2ALMNAHTR2C
SCHEMBL7294110 0.68 PDE4A (0.60) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL670305 0.68 PPARG (0.59) KMT2AHIF1AALDH1A1LMNA
SCHEMBL8238025 0.68 PPARG (0.59) KMT2AHIF1AALDH1A1LMNA
SCHEMBL5610531 0.65 PDE4A (0.59) HIF1APDE4BPDE4APDE4CPDE4D
SCHEMBL2978450 0.65 TUBB4A (0.62) KMT2AMEN1ALDH1A1
SCHEMBL16153835 0.65 SLC6A2 (0.50) KMT2ASLC6A3

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
US-5459145-A Calcium independent camp phosphodiesterase inhibitor antidepressant PFIZER INC. (US) 1995-10-17 US disclosed
US-5294730-A A-Amino-4-alkoxy-3-polycycloalkyloxybenzyl cyanide derivatives PFIZER INC. (US) 1994-03-15 US disclosed
EP-0247725-B1 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER (US) 1994-03-02 EP disclosed
US-5128358-A Aryl substituted nitrogen heterocyclic antidepressants PFIZER INC. (US) 1992-07-07 US disclosed
EP-0247725-A2 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER INC. (US) 1987-12-02 EP disclosed
WO-1987006576-A1 CALCIUM INDEPENDENT CAMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1987-11-05 WO disclosed