SCHEMBL11307225

SCHEMBL11307225

CCC(N)c1ccccc1N(C)CC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 0.34
▸ TSHR P16473 1/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ SLC6A4 P31645 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ CFD P00746 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
SCHEMBL11803496 0.79 GABRA1 (0.40) AOC3TSHRLMNA
SCHEMBL3678678 0.77 TSHR (0.44) TSHRSLC6A4LMNA
SCHEMBL11306094 0.75 TSHR (0.54) AOC3TSHRLMNA
SCHEMBL31718392 0.75 SIGMAR1 (0.37) AOC3TSHRSLC6A4LMNA
SCHEMBL11312455 0.74 TSHR (0.32) TSHR
SCHEMBL632286 0.72 TSHR (0.63) TSHRSLC6A4LMNA
SCHEMBL17092611 0.72 TSHR (0.63) TSHRSLC6A4LMNA
Hydrochloric Acid SCHEMBL9461595 0.71 TSHR (0.61) TSHRLMNA
SCHEMBL3865062 0.70 ESR1 (0.46) TSHRSLC6A4
SCHEMBL4976591 0.70 ALDH1A1 (0.34) TSHRLMNA

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-4268439-A Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 — — US disclosed
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