SCHEMBL11080939

SCHEMBL11080939

NCC1(O)CCCc2c1ccc1c2OCO1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.37
SLC6A4 P31645 1/20 0.36
AOC3 Q16853 1/20 0.32
ADRA2A P08913 4/20 0.32
ADRA2B P18089 4/20 0.32
ADRA2C P18825 4/20 0.32
DRD2 P14416 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
XBP1 P17861 1/20 0.30

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
SCHEMBL11079385 0.72 SLC6A3 (0.42) SLC6A3SLC6A4ADRA2AADRA2BADRA2C
SCHEMBL11083684 0.67 PARP1 (0.41) ALDH1A1HSD17B10
SCHEMBL11080380 0.66 HTR2A (0.40) ALDH1A1
SCHEMBL17397905 0.66 SLC6A3 (0.35) SLC6A3SLC6A4AOC3
SCHEMBL20957868 0.65 MTNR1A (0.34) AOC3ALDH1A1KMT2ASMN1; SMN2XBP1
SCHEMBL20478688 0.65 MTNR1A (0.34) AOC3ALDH1A1KMT2ASMN1; SMN2XBP1
SCHEMBL20478829 0.65 MTNR1A (0.34) AOC3ALDH1A1KMT2ASMN1; SMN2XBP1
SCHEMBL7565934 0.65 ALDH1A1 (0.42) DRD2ALDH1A1KMT2A
SCHEMBL1333907 0.63 KDM1A (0.47) DRD2KMT2A
SCHEMBL11079535 0.63 AR (0.38) SLC6A3SLC6A4ADRA2AADRA2BADRA2C

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