SCHEMBL28948757

SCHEMBL28948757

[CH2]C(C)(C)CN(CCc1ccccc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.44
▸ SIGMAR1 Q99720 9/20 0.44
▸ AOC3 Q16853 3/20 0.44
▸ EBP Q15125 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36

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
SCHEMBL15387144 0.83 SIGMAR1 (0.41) SIGMAR1AOC3KDM4EMEN1KMT2A
SCHEMBL19129470 0.82 TAAR1 (0.58) TAAR1SIGMAR1AOC3KDM4EMEN1
SCHEMBL19364108 0.78 TAAR1 (0.46) TAAR1SIGMAR1AOC3EBPKDM4E
SCHEMBL14064920 0.75 AOC3 (0.62) TAAR1SIGMAR1AOC3KDM4EOPRM1
SCHEMBL14065247 0.75 TAAR1 (0.50) TAAR1SIGMAR1AOC3OPRM1OPRD1
SCHEMBL9114952 0.74 ALDH1A1 (0.49) TAAR1SIGMAR1AOC3KDM4EMEN1
SCHEMBL19333385 0.73 SIGMAR1 (0.47) TAAR1SIGMAR1AOC3EBPKDM4E
SCHEMBL13153419 0.73 TAAR1 (0.52) TAAR1SIGMAR1AOC3KDM4EMEN1
SCHEMBL8179163 0.72 AOC3 (0.54) TAAR1SIGMAR1AOC3OPRM1OPRD1
SCHEMBL8828293 0.71 MAOA (0.50) TAAR1SIGMAR1AOC3

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
CN-104640894-A Two-component polyurethane composition SIKA TECHNOLOGY AG 2015-05-20 — — CN claimed
CN-104640894-A Two-component polyurethane composition SIKA TECHNOLOGY AG 2015-05-20 — — CN disclosed
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