SCHEMBL4823949

SCHEMBL4823949

CC[N+](C)(CC)C1Cc2cc(C)cc(-c3ccc(Cl)cc3)c2O1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5148555 0.87 DRD2 (0.37) MAPTTDP1
SCHEMBL4836377 0.86 AQP1 (0.36) AQP1MAPTTDP1
SCHEMBL4970746 0.86 AQP1 (0.46) AQP1
SCHEMBL4597074 0.78 BRD4 (0.39) AQP1CNR1CNR2PTGS1PTGS2
SCHEMBL4597070 0.77 PTGS1 (0.33) AQP1CNR1CNR2PTGS1PTGS2
SCHEMBL4225800 0.76 AQP1 (0.53) AQP1PTGS1PTGS2MAPT
SCHEMBL4234651 0.74 AQP1 (0.43) AQP1PTGS1PTGS2
SCHEMBL4234649 0.74 AQP1 (0.57) AQP1PTGS1PTGS2KMT2A
SCHEMBL4968328 0.74 GABRP (0.34) AQP1PTGS2
SCHEMBL4830774 0.73 AQP1 (0.50) AQP1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP claimed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO claimed