SCHEMBL3157355

SCHEMBL3157355

CN(C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.65
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
CHRM2 P08172 1/20 0.53
CHRM3 P20309 1/20 0.53
NPC1 O15118 1/20 0.53
NR2F2 P24468 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
MGLL Q99685 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
ACHE P22303 1/20 0.50

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
SCHEMBL1361808 0.84 ALDH1A1 (0.50) DRD4ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL3157089 0.84 LMNA (0.56) DRD4ALDH1A1KDM4ELMNAMAPT
SCHEMBL3152697 0.83 DRD4 (0.71) DRD4ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL3143293 0.83 LMNA (0.54) ALDH1A1KDM4ELMNAMAPTTDP1
SCHEMBL17147662 0.81 DRD4 (0.44) DRD4ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL3151719 0.81 KMT2A (0.59) ALDH1A1SMN1; SMN2LMNAMAPTTDP1
SCHEMBL5626457 0.79 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL4474974 0.78 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL9610816 0.77 KDM4E (0.65) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL8034304 0.77 KDM4E (0.65) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed