SCHEMBL13812974

SCHEMBL13812974

Nc1cc(Cl)ccc1OCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.56
SLC6A4 P31645 3/20 0.56
HTR2B P41595 3/20 0.56
HTR6 P50406 2/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4882597 0.83 CYP2C9 (0.57) HTR2CSLC6A4HTR2BCYP1A2CYP3A4
SCHEMBL20535690 0.79 NPC1 (0.49) HTR2CSLC6A4HTR2BHTR6NPC1
SCHEMBL9074689 0.78 MEN1 (0.54) HTR2CSLC6A4HTR2BHTR6HTT
SCHEMBL15243706 0.78 MRGPRX4 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL11360859 0.77 NPC1 (0.56) HTR2CSLC6A4HTR2BHTR6NPC1
SCHEMBL27689470 0.77 HTR2C (0.52) HTR2CSLC6A4HTR2BHTR6
SCHEMBL9077745 0.77 HTR2C (0.52) HTR2CSLC6A4HTR2BHTR6
Hydrochloric Acid SCHEMBL11354651 0.76 NPC1 (0.54) HTR2CSLC6A4HTR2BHTR6NPC1
SCHEMBL12505493 0.76 MAPT (0.49) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL14194196 0.76 MAPT (0.49) HTR2CHTR2BCYP1A2CYP3A4CYP2C9

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
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 US disclosed