SCHEMBL1387873

SCHEMBL1387873

CC(C)(C(=O)O)N1Cc2ccccc2-n2ccnc2C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 10/20 0.37
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH1 P35367 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32
HSD17B3 P37058 1/20 0.32
MAPT P10636 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32

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
SCHEMBL16207990 0.79 TSHR (0.38) RIPK1TSHRALDH1A1
SCHEMBL3762487 0.77 MAPK1 (0.49) MAPT
SCHEMBL31292095 0.75 NOTUM (0.50) RIPK1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1388083 0.73 HTR2A (0.44) RIPK1TSHRMEN1KMT2AHRH1
SCHEMBL1387868 0.73 TSHR (0.35) RIPK1TSHRMEN1KMT2ANPC1
SCHEMBL4019735 0.69 HPGD (0.34) RIPK1TSHRSMN1; SMN2
SCHEMBL10780626 0.68 SRD5A1 (0.41) RIPK1TSHRMEN1KMT2AHRH1
SCHEMBL1982809 0.65 SMN1; SMN2 (0.42) RIPK1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8032869 0.64 AVPR1A (0.41) RIPK1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL18839292 0.64 SRD5A1 (0.39) HRH1SMN1; SMN2ALDH1A1NPC1RAB9A

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 7 patents. 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 claimed
JP-H09501158-A 1997-02-04 JP claimed
EP-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP claimed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 WO claimed
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed
EP-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP disclosed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 WO disclosed