SCHEMBL11079535

SCHEMBL11079535

NCCC1(O)CCCc2c1ccc(Cl)c2Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.38
PNMT P11086 5/20 0.38
SLC6A3 Q01959 9/20 0.34
SLC6A4 P31645 8/20 0.34
SLC6A2 P23975 3/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL11080380 0.73 HTR2A (0.40) HTR2AHTR2CHTR2B
SCHEMBL11079530 0.71 AR (0.38) ARPNMTSLC6A3SLC6A4SLC6A2
SCHEMBL11079679 0.69 KDM1A (0.45) HTR2AHTR2CHTR2B
SCHEMBL11568059 0.66 HTR2A (0.38) ARPNMTHTR2AHTR2CHTR2B
SCHEMBL22254519 0.64 SLC6A3 (0.35) ARSLC6A3SLC6A4SLC6A2
SCHEMBL11083684 0.63 PARP1 (0.41)
SCHEMBL3910550 0.62 KDM1A (0.53) SLC6A3SLC6A4HTR2AHTR2C
SCHEMBL7565934 0.61 ALDH1A1 (0.42) HTR2A
SCHEMBL8613008 0.61 AR (0.33) ARSLC6A3SLC6A4
SCHEMBL11086002 0.58 KDM4C (0.35) SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4473586-A Aminoalkyl dihydronaphthalenes ABBOTT LABORATORIES (US) 1984-09-25 US disclosed