SCHEMBL7328737

SCHEMBL7328737

O=C(C(O)Cc1ccccc1)N1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
HPGD P15428 2/20 0.64
GAA P10253 1/20 0.64
CHRM1 P11229 6/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
FPR2 P25090 1/20 0.51
NPC1 O15118 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL7328742 1.00 TSHR (0.64) TSHRHPGDGAACHRM1MEN1
SCHEMBL9442990 0.98 TSHR (0.61) TSHRHPGDGAACHRM1MEN1
SCHEMBL10447907 0.98 TSHR (0.61) TSHRHPGDGAACHRM1MEN1
SCHEMBL9442942 0.95 TSHR (0.57) TSHRHPGDGAACHRM1MEN1
SCHEMBL27630758 0.85 TSHR (0.66) TSHRHPGDGAACHRM1MEN1
SCHEMBL18390254 0.84 HSD17B10 (0.73) CHRM1HSD17B10NPC1
SCHEMBL5479757 0.84 MMP8 (0.64) TSHRHPGDGAACHRM1MEN1
SCHEMBL2162836 0.84 MMP8 (0.64) TSHRHPGDGAACHRM1MEN1
SCHEMBL2162843 0.84 MMP8 (0.64) TSHRHPGDGAACHRM1MEN1
SCHEMBL8077871 0.82 HDAC8 (0.68) TSHRHPGDGAADPP7

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-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
EP-0364804-A1 Non-peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-04-25 EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed