SCHEMBL11529638

SCHEMBL11529638

CCN(CC)CCOc1ccc(C(=O)CC(C)(c2ccccc2)c2ccccc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.46
▸ CHRM1 P11229 4/20 0.46
▸ CHRM3 P20309 4/20 0.46
▸ CHRM4 P08173 2/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MCHR1 Q99705 6/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ SCN1A P35498 2/20 0.41
▸ SCN2A Q99250 2/20 0.41

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
Hydrochloric Acid SCHEMBL11528326 0.99 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL11530074 0.95 THRA (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5
Hydrochloric Acid SCHEMBL11533368 0.94 THRA (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL11529389 0.93 THRA (0.49) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL11527526 0.93 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
Hydrochloric Acid SCHEMBL11529364 0.92 THRA (0.48) CHRM2CHRM1CHRM3CHRM4CHRM5
Hydrochloric Acid SCHEMBL11528322 0.92 CHRM2 (0.45) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL11533264 0.91 THRA (0.51) THRATHRBMCHR1KDM4EBCHE
Hydrochloric Acid SCHEMBL11525645 0.90 THRA (0.50) THRATHRBMCHR1KDM4EBCHE
SCHEMBL11525525 0.89 KDM4E (0.54) THRATHRBMCHR1LMNAKDM4E

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-4140770-A Benzoylethers and processes for their production A. NATTERMANN & CIE. GMBH (DE) 1979-02-20 — — US disclosed
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