SCHEMBL7282113

SCHEMBL7282113

COC(=O)C[C@@H]1C[C@@H](CNc2ccc(-c3ccc(C(=N)N)cc3)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.38
ITGA2B P08514 11/20 0.38
F2 P00734 5/20 0.37
ITGAV P06756 1/20 0.37
F10 P00742 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7276061 0.92 ITGB3 (0.43) ITGB3ITGA2BF2ITGAVF10
Hydrochloric Acid SCHEMBL7279790 0.89 F10 (0.42) ITGB3ITGA2BF2F10LMNA
Hydrochloric Acid SCHEMBL7275045 0.87 ACHE (0.36) ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7283092 0.87 F10 (0.38) F2F10
Hydrochloric Acid SCHEMBL7281006 0.86 ITGB3 (0.44) ITGB3ITGA2BF2F10ALDH1A1
Hydrochloric Acid SCHEMBL7283412 0.86 ITGB3 (0.44) ITGB3ITGA2BF2F10ALDH1A1
SCHEMBL7273748 0.86 HTR1A (0.38) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7271812 0.85 F2 (0.36) ITGB3ITGA2BF2F10
Hydrochloric Acid SCHEMBL7272455 0.85 F10 (0.45) ITGB3ITGA2BF2F10
Hydrochloric Acid SCHEMBL7275149 0.85 ITGB3 (0.36) ITGB3ITGA2BF2ITGAVF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed