SCHEMBL7276505

SCHEMBL7276505

N=C(N)NCc1ccc(C(=O)NC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.41
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
MAOA P21397 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 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
SCHEMBL7274068 0.93 KDM1A (0.42) F2KDM1AHDAC2HDAC8HDAC6
Water SCHEMBL7281948 0.91 PPARG (0.41) F2KDM1AMAOAITGB3ITGA2B
SCHEMBL7276721 0.90 TRPV1 (0.43) F2ITGB1ITGA5HDAC3HDAC4
Water SCHEMBL7275704 0.89 LTA4H (0.40) F2ITGB1ITGA5HDAC3HDAC4
SCHEMBL7282394 0.88 ITGB3 (0.44) KDM1AHDAC8HDAC6ALDH1A1LMNA
SCHEMBL7284039 0.88 ITGB3 (0.42) KDM1AHDAC1HDAC8HDAC6ALDH1A1
Water SCHEMBL7273367 0.88 F10 (0.45) F2ITGB3ITGA2B
SCHEMBL7282719 0.87 KDM1A (0.38) KDM1ARCOR1MAOAALDH1A1LMNA
SCHEMBL7272267 0.86 F10 (0.41) KDM1AMAOAHDAC3HDAC4HDAC1
SCHEMBL7274776 0.85 ITGB3 (0.45) ITGB3ITGA2B

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