SCHEMBL11429433

SCHEMBL11429433

COc1ccc(CCNCCN(C)C2CCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ AOC3 Q16853 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ SMPD1 P17405 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL11441543 0.97 HTT (0.47) ADRA1DADRA1AADRA1BAOC3GAA
SCHEMBL11426703 0.82 KCNH2 (0.53) SIGMAR1
SCHEMBL11435156 0.82 HTT (0.45) ADRA1DADRA1AADRA1BAOC3GAA
SCHEMBL11436980 0.81 DRD2 (0.51) ADRA1DADRA1AADRA1BHTTSMPD1
SCHEMBL1966332 0.81 AOC3 (0.59) AOC3SMN1; SMN2SMPD1SIGMAR1
SCHEMBL11441540 0.80 BCHE (0.54) KMT2AMEN1
SCHEMBL11435175 0.80 KCNH2 (0.50) SIGMAR1
SCHEMBL11429882 0.80 ADRA1D (0.51) ADRA1DADRA1AADRA1BAOC3GAA
SCHEMBL28661867 0.78 SMN1; SMN2 (0.65) GAAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL12909329 0.76 HRH3 (0.64) HTTSMN1; SMN2KMT2AMEN1SIGMAR1

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
EP-0017376-A1 Phenylacetamide compounds and an analgesic composition containing them KISSEI PHARMACEUTICAL CO. LTD (JP) 1980-10-15 — — EP disclosed
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