SCHEMBL193932

SCHEMBL193932

O=C(O)N1CCC(CCCI)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
HDAC3 O15379 4/20 0.39
HDAC4 P56524 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
GNAI3 P08754 2/20 0.36
GNAO1 P09471 2/20 0.36
GNAI1 P63096 2/20 0.36
NAMPT P43490 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL1898526 0.88 ITGB3 (0.38) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL1840437 0.82 ITGB3 (0.44) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL19834800 0.81 ITGB3 (0.43) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL27551163 0.81 ITGB3 (0.43) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL3405222 0.81 CHRM1 (0.44) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL27269193 0.81 ITGB3 (0.43) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL1581701 0.79 TACR3 (0.34) ITGB3ITGA2B
SCHEMBL3980000 0.79 SIGMAR1 (0.47) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL19834792 0.79 ITGB3 (0.42) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL5115850 0.79 ITGB3 (0.45) ITGB3ITGA2BHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917536-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE The Board of Trustees of the Leland Stanford Junior University (US) 2021-12-08 EP disclosed
WO-2020160333-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-08-06 WO disclosed
EP-2265582-B1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF. SANOFI SA (FR) 2012-01-04 EP disclosed
EP-2294068-B1 1,3-DIHYDRO-2H-PYRROLO[3,2-B]PYRIDIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2011-11-02 EP disclosed
EP-2294068-A1 1,3-DIHYDRO-2H-PYRROLO[3,2-B]PYRIDIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF Sanofi-Aventis (FR) 2011-03-16 EP disclosed
EP-2265582-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF. Sanofi-Aventis (FR) 2010-12-29 EP disclosed
WO-2009133314-A1 1,3-DIHYDRO-2H-PYRROLO[3,2-B]PYRIDIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2009-11-05 WO disclosed
WO-2009115685-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF. SANOFI-AVENTIS (FR) 2009-09-24 WO disclosed