SCHEMBL3148248

SCHEMBL3148248

Cc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.64
HSD17B10 Q99714 1/20 0.64
PYCR1 P32322 2/20 0.64
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
KCNH2 Q12809 2/20 0.56
BCHE P06276 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.48
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL3143221 0.86 CRHBP (0.71) ACHEPYCR1CRHBPCRHR2KCNH2
SCHEMBL3148676 0.84 PYCR1 (0.62) PYCR1CRHBPCRHR2KCNH2LOXL2
SCHEMBL3152135 0.84 PYCR1 (0.62) PYCR1CRHBPCRHR2KCNH2CYP1A2
SCHEMBL3153145 0.84 PYCR1 (0.62) PYCR1CRHBPCRHR2KCNH2LOXL2
SCHEMBL3154646 0.84 PYCR1 (0.66) ACHEHSD17B10PYCR1CRHBPCRHR2
SCHEMBL2351816 0.83 POLB (0.67) ACHEPYCR1CRHBPCRHR2KCNH2
SCHEMBL16710114 0.81 CRHBP (0.60) ACHEHSD17B10PYCR1CRHBPCRHR2
SCHEMBL3162128 0.81 KCNH2 (0.63) ACHEPYCR1CRHBPCRHR2KCNH2
SCHEMBL7655225 0.81 ACHE (0.75) ACHEHSD17B10KCNH2BCHELOXL2
SCHEMBL10919887 0.81 ACHE (0.75) ACHEHSD17B10BCHELOXL2MAPT

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 7 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
CN-1391557-A 6-substituted indolinones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-15 CN 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