SCHEMBL7366693

SCHEMBL7366693

CCOC(=O)CN1CC(=O)N(Cc2ccccc2)CC1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CASP3 P42574 1/20 0.50
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL7745615 0.87 KMT2A (0.52) TSHRCASP3ALOX15ALDH1A1KMT2A
SCHEMBL7461145 0.85 HDAC6 (0.53) TSHRCASP3ALOX15ALDH1A1KMT2A
SCHEMBL7737652 0.82 PLA2G10 (0.50) TSHRALDH1A1KMT2AMEN1CYP2C9
SCHEMBL25426510 0.81 ALDH1A1 (0.54) TSHRALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7367041 0.81 POLB (0.44) TSHRALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL7365707 0.81 KMT2A (0.66) TSHRALDH1A1KMT2AMEN1CYP2C9
SCHEMBL12957540 0.79 KMT2A (0.54) TSHRKMT2AMEN1CYP2C9CYP2C19
SCHEMBL1488276 0.78 L3MBTL1 (0.56) TSHRKMT2AMEN1CYP2C9CYP2C19
SCHEMBL3491164 0.76 ALDH1A1 (0.44) TSHRALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7368700 0.76 RAB9A (0.48) TSHRALDH1A1KMT2AMEN1CYP2C19

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
US-6211183-B1 PIPERAZINE DERIVATIVE ANTICOAGULANTS; ANTIISCHEMIC AGENTS; CARDIOVASCULAR DISORDERS COR THERAPEUTICS, INC. 2001-04-03 US disclosed
EP-0975625-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 2000-02-02 EP disclosed
WO-1998046591-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 1998-10-22 WO disclosed