SCHEMBL3155686

SCHEMBL3155686

CN(C)CCC(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
ALDH1A1 P00352 8/20 0.51
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
TMEM97 Q5BJF2 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
AR P10275 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL3155559 0.87 CRHBP (0.57) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4
SCHEMBL8602833 0.87 ALDH1A1 (0.56) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4
SCHEMBL10425805 0.84 ALDH1A1 (0.53) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4
SCHEMBL3156885 0.84 TMEM97 (0.54) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4
SCHEMBL14174760 0.83 CNR2 (0.59) ALDH1A1CYP2C19SMN1; SMN2KMT2AMEN1
SCHEMBL599831 0.82 CRHBP (0.63) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4
SCHEMBL3156574 0.82 CRHBP (0.56) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4
SCHEMBL3157765 0.82 NPC1 (0.50) ALDH1A1SMN1; SMN2KMT2ANPC1GLA
SCHEMBL3159564 0.81 ALDH1A1 (0.55) CRHBPCRHR2ALDH1A1CYP1A2CYP3A4
SCHEMBL3144317 0.80 TMEM97 (0.59) CRHBPCRHR2ALDH1A1TMEM97SIGMAR1

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-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