SCHEMBL5592811

SCHEMBL5592811

O=C(Cl)CCc1nnnn1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.70
PKM P14618 2/20 0.50
HTT P42858 2/20 0.50
NLRP3 Q96P20 1/20 0.50
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.44
CCR6 P51684 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL1493377 0.88 HSD11B1 (0.74) HSD11B1PKMHTTNLRP3ALDH1A1
Hydrochloric Acid SCHEMBL3646334 0.84 HSD11B1 (0.68) HSD11B1PKMHTTNLRP3ALDH1A1
SCHEMBL10672820 0.82 HSD11B1 (0.66) HSD11B1PKMHTTNLRP3ALDH1A1
SCHEMBL4675275 0.82 HSD11B1 (0.64) HSD11B1PKMHTTNLRP3ALDH1A1
SCHEMBL10670995 0.81 HSD11B1 (0.64) HSD11B1PKMHTTNLRP3ALDH1A1
SCHEMBL10677744 0.79 HSD11B1 (0.63) HSD11B1PKMHTTNLRP3ALDH1A1
SCHEMBL5592634 0.79 HSD11B1 (0.62) HSD11B1PKMHTTNLRP3ALDH1A1
SCHEMBL2968359 0.79 HSD11B1 (0.61) HSD11B1PKMHTTNLRP3ALDH1A1
SCHEMBL2968355 0.79 HSD11B1 (0.61) HSD11B1PKMHTTNLRP3ALDH1A1
SCHEMBL5542401 0.79 HSD11B1 (0.62) HSD11B1PKMHTTNLRP3ALDH1A1

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
WO-2007029021-A1 1,5-SUBSTITUTED TETRAZOLES AS THERAPEUTIC COMPOUNDS THE UNIVERSITY OF EDINBURGH (GB) 2007-03-15 WO disclosed
WO-2007029021-A1 1,5-SUBSTITUTED TETRAZOLES AS THERAPEUTIC COMPOUNDS THE UNIVERSITY OF EDINBURGH (GB) 2007-03-15 WO disclosed