SCHEMBL11544856

SCHEMBL11544856

CN(C)CCCC1=CC2(CCCC2)c2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.38
MPO P05164 1/20 0.38
SRC P12931 1/20 0.36
SLC6A3 Q01959 3/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 2/20 0.34
TAAR1 Q96RJ0 2/20 0.33

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
SCHEMBL11549475 0.92 TAAR1 (0.38) SLC6A4MPOSRCSLC6A3CHRM2
SCHEMBL11544139 0.85 SLC6A4 (0.42) SLC6A4SLC6A3CHRM2CHRM4CHRM5
SCHEMBL11546149 0.82 SLC6A4 (0.40) SLC6A4SRCCHRM2CHRM4CHRM5
SCHEMBL11545456 0.81 SLC6A2 (0.38) SLC6A4SRCSLC6A3CHRM2CHRM4
SCHEMBL11543869 0.80 SLC6A2 (0.38) SLC6A4SLC6A3CHRM2CHRM4CHRM5
SCHEMBL11545626 0.79 TAAR1 (0.38) SLC6A4MPOSLC6A3SLC6A2TAAR1
SCHEMBL11544443 0.72 SLC6A2 (0.40) SLC6A4SLC6A3CHRM2CHRM4CHRM5
SCHEMBL11549473 0.69 POLB (0.34) SLC6A4SLC6A3SLC6A2
SCHEMBL11638020 0.65 TERT (0.45) SLC6A4MPOSLC6A3
SCHEMBL8430524 0.65 PGR (0.34) MPO

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

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