SCHEMBL4354945

SCHEMBL4354945

CC1(C)CCC(c2c[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.61
DRD2 P14416 4/20 0.61
ADRA1D P25100 3/20 0.55
IDO1 P14902 1/20 0.52
HTR2A P28223 5/20 0.51
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
HTR1A P08908 2/20 0.47
ADRA1B P35368 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR1B P28222 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HTR7 P34969 3/20 0.46
KCNH2 Q12809 3/20 0.46
APP P05067 2/20 0.45

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
SCHEMBL6636085 0.83 SLC6A4 (0.53) SLC6A4DRD2ADRA1DIDO1HTR2A
SCHEMBL30275187 0.82 HTR2A (0.64) SLC6A4DRD2ADRA1DIDO1HTR2A
SCHEMBL2904310 0.82 HTR2A (0.64) SLC6A4DRD2ADRA1DIDO1HTR2A
Hydrochloric Acid SCHEMBL6248133 0.81 HTR2C (0.63) SLC6A4DRD2ADRA1DIDO1HTR2A
SCHEMBL4671007 0.81 SLC6A4 (0.59) SLC6A4DRD2ADRA1DIDO1HTR2A
Bromide SCHEMBL7870891 0.80 DRD2 (0.73) SLC6A4DRD2ADRA1DHTR2AOPRM1
Hydrochloric Acid SCHEMBL7867314 0.80 DRD2 (0.73) SLC6A4DRD2ADRA1DHTR2AOPRM1
SCHEMBL6636763 0.79 DRD2 (0.57) SLC6A4DRD2ADRA1DIDO1HTR2A
SCHEMBL31295173 0.78 HTR2A (0.59) SLC6A4DRD2ADRA1DIDO1HTR2A
Ethylene SCHEMBL7483250 0.77 DRD2 (0.55) SLC6A4DRD2ADRA1DIDO1HTR2A

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
CN-101528230-A Indoloquinoline compounds as calcium channel blockers MEDIPROPHARMA INC (US) 2009-09-09 CN disclosed
EP-2063891-A2 INDOLOQUINOLINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Medipropharma, Inc. (US) 2009-06-03 EP disclosed
WO-2008027182-A2 INDOLOQUINOLINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS MEDIPROPHARMA, INC. (US) 2008-03-06 WO disclosed