SCHEMBL11545456

SCHEMBL11545456

CN(C)CCCC1=CC2(CCCC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 4/20 0.38
HTR2A P28223 4/20 0.38
HRH1 P35367 4/20 0.38
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
ADRB1 P08588 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
DRD2 P14416 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
DRD1 P21728 2/20 0.38
HTR2C P28335 2/20 0.38
ADRA1A P35348 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
HTR2B P41595 2/20 0.38
MC3R P41968 2/20 0.38

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
SCHEMBL11543869 0.99 SLC6A2 (0.38) SLC6A2SLC6A4HTR2AHRH1CHRM2
SCHEMBL11544443 0.91 SLC6A2 (0.40) SLC6A2SLC6A4HTR2AHRH1CHRM2
SCHEMBL11544153 0.82
SCHEMBL11544856 0.81 SLC6A4 (0.38) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL11544139 0.81 SLC6A4 (0.42) SLC6A2SLC6A4HTR2AHRH1CHRM2
SCHEMBL11544913 0.80 MEN1 (0.39) SLC6A2SLC6A4HTR2AHRH1CHRM2
SCHEMBL11546166 0.80 ALDH1A1 (0.35) CHRM2CHRM1LMNACYP1A2CYP2D6
SCHEMBL11544136 0.79 SLC6A4 (0.45) SLC6A2SLC6A4HTR2AHRH1CHRM2
SCHEMBL11543451 0.79 CHRM2 (0.35) SLC6A2CHRM2CHRM1HRH3LMNA
SCHEMBL11541733 0.79 MEN1 (0.38) SLC6A2SLC6A4HTR2AHRH1CHRM2

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-4172093-A Pharmacodynamically active indan derivatives AB KABI (SE) 1979-10-23 US disclosed