SCHEMBL7274641

SCHEMBL7274641

CC(=O)n1cc(CCCO)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.54
OXER1 Q8TDS5 1/20 0.51
HTT P42858 3/20 0.49
CREBBP Q92793 2/20 0.47
IL6ST P40189 1/20 0.46
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 2/20 0.44
PAX8 Q06710 1/20 0.44
BRPF1 P55201 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MTNR1A P48039 1/20 0.42
GALR2 O43603 1/20 0.42

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
SCHEMBL10359905 0.91 HTT (0.51) POLBOXER1HTTCREBBPIL6ST
SCHEMBL27385284 0.87 POLB (0.43) POLBOXER1HTTCREBBPIL6ST
SCHEMBL7276946 0.87 POLB (0.43) POLBOXER1HTTCREBBPIL6ST
SCHEMBL29424269 0.83 HTR2A (0.59) POLBOXER1HTTCREBBPKDM4E
SCHEMBL7528710 0.83 HTR2A (0.59) POLBOXER1HTTCREBBPKDM4E
SCHEMBL12301581 0.82 CREBBP (0.52) POLBOXER1HTTCREBBPKDM4E
SCHEMBL30569636 0.81 L3MBTL1 (0.63) POLBOXER1CREBBPIL6STMEN1
SCHEMBL3165284 0.81 L3MBTL1 (0.63) POLBOXER1CREBBPIL6STMEN1
SCHEMBL24878392 0.81 HTR6 (0.54) POLBOXER1HTTCREBBPKDM4E
SCHEMBL24877781 0.81 HTR6 (0.58) MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512831-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1999-09-22 EP disclosed
EP-0478362-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1999-06-09 EP disclosed
EP-0512829-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1998-03-04 EP disclosed
US-5455243-A Anticoagulants MERCK & CO., INC. (US) 1995-10-03 US disclosed
US-5321034-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1994-06-14 US disclosed
US-5281585-A Secondary amide containing antagonist MERCK & CO., INC. (US) 1994-01-25 US disclosed
US-5264420-A Anticoagulants MERCK & CO., INC. (US) 1993-11-23 US disclosed
CN-1067883-A FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1993-01-13 CN disclosed
WO-1992019595-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1992-11-12 WO disclosed
EP-0512829-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-11-11 EP disclosed
EP-0512831-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-11-11 EP disclosed
EP-0478362-A2 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed