SCHEMBL8798458

SCHEMBL8798458

C[C@@H](CN1Cc2ccccc2-n2ccnc2C1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
APAF1 O14727 3/20 0.38
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR5 Q9H228 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
PRMT5 O14744 3/20 0.33
WDR77 Q9BQA1 2/20 0.33

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
SCHEMBL1388083 0.80 HTR2A (0.44) TSHRHTR2AHRH1POLBNPC1
SCHEMBL1387868 0.77 TSHR (0.35) TSHRTP53GAANPC1RAB9A
SCHEMBL16207990 0.75 TSHR (0.38) TSHRGAAALDH1A1
SCHEMBL1387873 0.73 RIPK1 (0.37) TSHRHTR2AHRH1NPC1RAB9A
SCHEMBL3762487 0.68 MAPK1 (0.49) POLBMAPT
SCHEMBL4019735 0.66 HPGD (0.34) TSHR
SCHEMBL10780626 0.65 SRD5A1 (0.41) TSHRHTR2AHRH1NPC1RAB9A
SCHEMBL18205236 0.63 CARM1 (0.50) POLBMAPTMEN1KMT2AL3MBTL1
SCHEMBL22639898 0.63 HTR1A (0.57) TSHRPOLBMAPTALDH1A1MEN1
SCHEMBL22639728 0.63 HTR1A (0.57) TSHRPOLBMAPTALDH1A1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed