SCHEMBL7276310

SCHEMBL7276310

N=C(N)c1ccc(C(=O)Nc2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.48
ITGA2B P08514 14/20 0.48
ITGAV P06756 2/20 0.48
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.38

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
SCHEMBL7275113 1.00 ITGB3 (0.48) ITGB3ITGA2BITGAVALDH1A1LMNA
Hydrochloric Acid SCHEMBL7272660 0.92 ITGB3 (0.43) ITGB3ITGA2BITGAVALDH1A1LMNA
Hydrochloric Acid SCHEMBL7273834 0.92 ITGB3 (0.43) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7276387 0.90 ITGB3 (0.54) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7273468 0.90 ITGB3 (0.54) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7284072 0.90 ALDH1A1 (0.43) ALDH1A1LMNAMAPTNR1H4NPC1
SCHEMBL7280312 0.88 POLB (0.43) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7275315 0.85 ITGB3 (0.43) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7272558 0.85 ITGB3 (0.42) ITGB3ITGA2BITGAVALDH1A1F2
Water SCHEMBL8881986 0.84 ITGB3 (0.55) ITGB3ITGA2BITGAVF2F10

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