SCHEMBL7272267

SCHEMBL7272267

N=C(N)NCCc1cccc(C(=O)NC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PARP1 P09874 2/20 0.39
MAOA P21397 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37

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) F10HDAC2HDAC8HDAC6NPC1
Water SCHEMBL7281948 0.92 PPARG (0.41) F10HTR1ADRD2MAOAITGB3
SCHEMBL7274776 0.90 ITGB3 (0.45) F10HTR1AITGB3ITGAVITGA2B
SCHEMBL7283567 0.89 DRD2 (0.44) F10HTR1ADRD2HDAC3HDAC4
SCHEMBL7275519 0.88 HTR1A (0.44) HTR1ADRD2HDAC3HDAC4HDAC1
SCHEMBL7272424 0.86 SIGMAR1 (0.45) HTR1ADRD2HDAC3HDAC4HDAC1
SCHEMBL7274585 0.86 ITGB3 (0.42) F10HTR1AITGB3ITGAVITGA2B
SCHEMBL7276505 0.86 F2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7284946 0.85 F10 (0.48) F10HTR1AITGB3ITGAVITGA2B
SCHEMBL7276363 0.84 F10 (0.42) F10ITGB3ITGAVITGA2BPRSS1

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