SCHEMBL8539253

SCHEMBL8539253

CCOc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(C(=O)CCCC(=O)[O-])CC2.[Na+]

nearest known ligand 0.60

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.57
SCN5A known ✓ Q14524 1/20 0.57
ADRA1D P25100 20/20 0.60
ADRA1A P35348 20/20 0.60
ADRA1B P35368 20/20 0.60
ADRB2 P07550 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
DRD2 P14416 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
DRD1 P21728 1/20 0.57
DRD4 P21917 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR7 P34969 1/20 0.57
HRH1 P35367 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2B P41595 1/20 0.57

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
SCHEMBL8538101 0.91 ADRA1D (0.63) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8537142 0.89 ADRA1D (0.61) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8543499 0.89 ADRA1D (0.74) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8541028 0.88 ADRA1D (0.65) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8544154 0.87 ADRA1D (0.66) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8537112 0.83 ADRA1D (0.72) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL9166798 0.83 ADRA1D (0.72) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8538977 0.81 ADRA1D (0.76) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL6714309 0.81 ADRA1D (0.89) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL6714323 0.81 ADRA1D (0.89) ADRA1DADRA1AADRA1BADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600675-B1 Indoline compounds for the treatment of dysuria KISSEI PHARMACEUTICAL (JP) 1998-07-08 EP disclosed
US-5387603-A Treating dysuria (painful urination) with less hypotension; FDA Orange book listed patent for silodosin KISSEI PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0600675-A1 Indoline compounds for the treatment of dysuria Kissei Pharmaceutical Co., Ltd. (JP) 1994-06-08 EP disclosed