SCHEMBL3152144

SCHEMBL3152144

CN(C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.68
PYCR1 P32322 1/20 0.59
SIGMAR1 Q99720 3/20 0.54
TMEM97 Q5BJF2 2/20 0.54
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CDC25C P30307 2/20 0.47
MAPT P10636 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL3146890 0.90 KCNH2 (0.62) KCNH2PYCR1SIGMAR1TMEM97CRHBP
SCHEMBL17795657 0.87 KCNH2 (0.68) KCNH2PYCR1SIGMAR1TMEM97CRHBP
SCHEMBL3153147 0.84 KCNH2 (0.68) KCNH2PYCR1SIGMAR1TMEM97CRHBP
SCHEMBL3156616 0.83 KCNH2 (0.62) KCNH2PYCR1SIGMAR1TMEM97CRHBP
SCHEMBL3143117 0.83 KCNH2 (0.64) KCNH2PYCR1SIGMAR1TMEM97CRHBP
SCHEMBL5208558 0.83 KCNH2 (0.71) KCNH2PYCR1SIGMAR1TMEM97CRHBP
Hydrochloric Acid SCHEMBL11139253 0.83 KCNH2 (0.67) KCNH2PYCR1SIGMAR1TMEM97CRHBP
SCHEMBL16479584 0.82 KCNH2 (0.61) KCNH2PYCR1SIGMAR1TMEM97CRHBP
SCHEMBL3156368 0.82 KCNH2 (0.61) KCNH2PYCR1SIGMAR1TMEM97CRHBP
SCHEMBL11780168 0.82 KCNH2 (0.78) KCNH2PYCR1SIGMAR1TMEM97CRHBP

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