SCHEMBL15062011

SCHEMBL15062011

Cc1ccc(F)cc1OC1CCN(C(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.46
SCD O00767 2/20 0.44
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43

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
SCHEMBL15062019 0.92 HRH3 (0.45) HRH3SCDHRH1CCR3
SCHEMBL15062012 0.92 HRH3 (0.45) HRH3SCDHRH1CCR3
SCHEMBL15061995 0.84 SCD (0.47) HRH3SCD
SCHEMBL24925309 0.83 SCD (0.44) SCD
SCHEMBL17955453 0.82 HRH3 (0.42) HRH3SCD
SCHEMBL15062002 0.82 HRH3 (0.50) HRH3SCD
SCHEMBL24925307 0.80 EIF4E (0.43) SCD
SCHEMBL15062023 0.79 HTR2C (0.54) SCD
SCHEMBL15062015 0.79 HTR2C (0.54) SCD
SCHEMBL15076169 0.78 GPR6 (0.45) SCDHRH1CCR3

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
EP-2794608-B1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
WO-2013091773-A1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2013-06-27 WO disclosed
EP-2607364-A1 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators Ares Trading S.A. (CH) 2013-06-26 EP disclosed