SCHEMBL91287

SCHEMBL91287

COCCCN1CCOc2ccc(C)cc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.55
TSHR P16473 2/20 0.45
HTR1A P08908 1/20 0.43
SLC6A4 P31645 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
GRM5 P41594 1/20 0.38
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL10272585 0.92 REN (0.47) RENTSHRHTR1ASLC6A4KMT2A
SCHEMBL8263807 0.85 REN (0.60) RENTSHRHTR1ASLC6A4KMT2A
SCHEMBL5710197 0.85 REN (0.54) RENTSHRHTR1ASLC6A4KMT2A
SCHEMBL1083640 0.85 REN (0.54) RENTSHRHTR1ASLC6A4KMT2A
SCHEMBL8285802 0.84 REN (0.53) RENTSHRHTR1ASLC6A4KMT2A
SCHEMBL16897915 0.83 MAPT (0.42) RENTSHRHTR1ASLC6A4KMT2A
SCHEMBL78416 0.83 REN (0.53) RENTSHRHTR1ASLC6A4KMT2A
SCHEMBL7992571 0.83 REN (0.53) RENTSHRHTR1ASLC6A4KMT2A
SCHEMBL21940988 0.82 REN (0.40) RENTSHRHTR1ASLC6A4KMT2A
SCHEMBL8282811 0.82 HTR1A (0.60) RENTSHRHTR1ASLC6A4KMT2A

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-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
EP-2163245-A1 Renin inhibitors for the treatment of psoriasis Novartis Ag (CH) 2010-03-17 EP disclosed