SCHEMBL3144489

SCHEMBL3144489

COc1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.60
ABCB1 P08183 7/20 0.56
ABCG2 Q9UNQ0 3/20 0.56
ABCC1 P33527 2/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KCNJ1 P48048 1/20 0.53
KCNH2 Q12809 1/20 0.53
TAAR1 Q96RJ0 1/20 0.50
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
CHRM3 P20309 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49

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
SCHEMBL3151684 0.95 DRD4 (0.60) DRD4ABCB1ABCG2ABCC1HDAC1
SCHEMBL3148683 0.93 HDAC1 (0.61) DRD4ABCB1ABCG2ABCC1HDAC1
SCHEMBL8789944 0.89 KCNJ1 (0.67) DRD4ABCB1ABCG2KCNJ1KCNH2
SCHEMBL3156573 0.86 ABCB1 (0.69) ABCB1ABCG2ABCC1KMT2AREV1
SCHEMBL8790326 0.84 KCNJ1 (0.67) ABCB1ABCG2KCNJ1KCNH2
SCHEMBL3143480 0.83 DRD2 (0.53) DRD4ABCB1ABCC1KCNJ1TMEM97
SCHEMBL3144845 0.82 ABCB1 (0.52) DRD4ABCB1ABCG2ABCC1KCNJ1
SCHEMBL3157251 0.82 ABCB1 (0.62) DRD4ABCB1ABCG2ABCC1HDAC1
SCHEMBL3156253 0.80 KDM4E (0.52) DRD4ABCB1ABCG2ABCC1KCNJ1
SCHEMBL3158207 0.80 MEN1 (0.59) ABCB1ABCG2KCNJ1TAAR1HTR2C

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
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed