SCHEMBL8458186

SCHEMBL8458186

Cc1cc(OCC(=O)O)ccc1NC(=O)c1ccc2c3c([nH]c2c1)CNCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR7 P34969 1/20 0.47
NISCH Q9Y2I1 1/20 0.47
DGAT1 O75907 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RECQL P46063 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MCHR1 Q99705 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
ALDH1A1 P00352 4/20 0.39

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
SCHEMBL7447526 0.89 NISCH (0.47) ADRA2AADRA2BADRA2CHTR7NISCH
SCHEMBL7607625 0.77 NISCH (0.47) ADRA2AADRA2BADRA2CHTR7NISCH
SCHEMBL8465863 0.76 HTR2A (0.47) DGAT1LMNAMCHR1ITGB3ITGA2B
SCHEMBL8321062 0.72 KIT (0.48) ALOX15HSD17B10MCHR1ITGB3ITGA2B
SCHEMBL8325991 0.72 P2RY14 (0.48) MCHR1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL1491307 0.69 HSD17B10 (0.67) ADRA2AADRA2BADRA2CHTR7NISCH
SCHEMBL14924864 0.69 HSD17B10 (0.67) ADRA2AADRA2BADRA2CHTR7NISCH
SCHEMBL26574862 0.68 PKM (0.45) LMNACYP1A2TSHRMCHR1ITGB3
SCHEMBL1875671 0.67 NISCH (0.63) ADRA2AADRA2BADRA2CHTR7NISCH
SCHEMBL8475075 0.66 ROCK2 (0.50) MCHR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990107-A ADMINISTERING TO INHIBIT THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS IN A MAMMAL; OR TO INHIBIT OSTEOCLAST MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1999-11-23 US disclosed
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed