SCHEMBL11544440

SCHEMBL11544440

CC(C1=CC2(CCCC2)c2ccccc21)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 3/20 0.33
KCNH2 Q12809 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
SCHEMBL11544758 0.81 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2
SCHEMBL11545389 0.81 SLC6A4 (0.36) SLC6A3SLC6A4SLC6A2
SCHEMBL11291996 0.80 SLC6A3 (0.33) SLC6A3SLC6A4SLC6A2
SCHEMBL11549473 0.80 POLB (0.34) SLC6A3SLC6A4SLC6A2
SCHEMBL11542300 0.79 HRH3 (0.33) SLC6A3SLC6A4
SCHEMBL11543907 0.78 SLC6A4 (0.38) SLC6A3SLC6A4SLC6A2
SCHEMBL11544999 0.76 AKR1C1 (0.37)
SCHEMBL11544250 0.75 TAAR1 (0.39) SLC6A3SLC6A4SLC6A2
SCHEMBL11295572 0.74 LMNA (0.37)
SCHEMBL11349725 0.73 ADRB2 (0.41)

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