SCHEMBL11525189

SCHEMBL11525189

CCN(CC)CCOc1c(C)cc(C(=O)C(c2ccccc2)C2CCCCC2)cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 7/20 0.64
▸ CHRM1 P11229 7/20 0.64
▸ CYP3A4 P08684 3/20 0.64
▸ LMNA P02545 3/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP2D6 P10635 2/20 0.64
▸ HTR1A P08908 1/20 0.64
▸ ADRA2A P08913 1/20 0.64
▸ DRD1 P21728 1/20 0.64
▸ SLC6A2 P23975 1/20 0.64
▸ ADRA1A P35348 1/20 0.64
▸ OPRM1 P35372 1/20 0.64
▸ DRD3 P35462 1/20 0.64
▸ SLC6A3 Q01959 1/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ CHRM3 P20309 7/20 0.45
▸ CHRM4 P08173 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL11527635 0.82 LMNA (0.56) CHRM2CHRM1CYP3A4LMNACYP1A2
SCHEMBL11525943 0.80 KDM4E (0.54) CHRM2CHRM1CYP3A4LMNACYP1A2
SCHEMBL11528961 0.80 MEN1 (0.55) CYP3A4CYP1A2CYP2D6TSHRCHRM3
Hydrochloric Acid SCHEMBL11532127 0.79 MEN1 (0.54) CYP3A4CYP1A2CYP2D6TSHRCHRM3
Drofenine SCHEMBL25124 0.78 CHRM2 (1.00) CHRM2CHRM1CYP3A4LMNACYP1A2
SCHEMBL11529632 0.77 LMNA (0.50) CHRM2CHRM1CYP3A4LMNACYP1A2
Drofenine SCHEMBL446912 0.77 CYP3A4 (1.00) CHRM2CHRM1CYP3A4LMNACYP1A2
SCHEMBL11530140 0.77 KDM4E (0.46) CHRM1CYP3A4LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11528321 0.76 ALDH1A1 (0.51) CHRM2CHRM1CYP3A4LMNACYP1A2
Drofenine SCHEMBL1649803 0.76 CHRM2 (0.95) CHRM2CHRM1CYP3A4LMNACYP1A2

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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