SCHEMBL7312154

SCHEMBL7312154

CCOC(=O)CC1COc2cc(N)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
MALT1 Q9UDY8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MTNR1A P48039 2/20 0.37
S1PR1 P21453 2/20 0.36
SGPL1 O95470 1/20 0.36
CYP1A2 P05177 2/20 0.36
MIF P14174 1/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAOA P21397 1/20 0.35
MAPT P10636 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SHMT2 P34897 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL6555465 0.90 MTNR1A (0.44) MALT1L3MBTL1MTNR1ACYP1A2MIF
SCHEMBL6554181 0.90 MTNR1A (0.44) MALT1L3MBTL1MTNR1ACYP1A2MIF
SCHEMBL6553963 0.90 MTNR1A (0.44) MALT1L3MBTL1MTNR1ACYP1A2MIF
Hydrochloric Acid SCHEMBL6555480 0.89 MTNR1A (0.43) MALT1L3MBTL1MTNR1ACYP1A2MIF
SCHEMBL7302536 0.79 MTNR1A (0.45) MALT1L3MBTL1MTNR1AMIFLMNA
SCHEMBL6554163 0.78 MTNR1A (0.51) MALT1MTNR1ALMNAITGB3ITGA2B
SCHEMBL7300384 0.78 ITGB3 (0.39) CYP1A2LMNACYP3A4MAOAMAPT
SCHEMBL6553933 0.78 MTNR1A (0.51) MALT1MTNR1ALMNAITGB3ITGA2B
SCHEMBL6554279 0.78 MTNR1A (0.51) MALT1MTNR1ALMNAITGB3ITGA2B
SCHEMBL29113472 0.78 MCHR1 (0.42) S1PR1SGPL1CYP1A2LMNACYP3A4

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
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
US-5719145-A FIBRINOGEN ANTAGONIST FOR TREATMENT OF THROMBOSIS, RESTENOSIS AFTER ANGIOPLASTY OR CORONARY RECANALIZATION; WATER SOLUBILITY, ORAL ADMINISTRATION MITSUI TOATSU CHEMICALS, INC. (JP) 1998-02-17 US disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed