SCHEMBL10866637

SCHEMBL10866637

CCOC(=O)OC1=C(O)CCN(CCc2c[nH]c3ccc(Br)cc23)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.49
▸ SLC6A2 P23975 2/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ HTR1A P08908 4/20 0.47
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ GABRB1 P18505 1/20 0.45
▸ GABRA3 P34903 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ ASIC3 Q9UHC3 1/20 0.41
▸ HTR2A P28223 3/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ MPO P05164 1/20 0.39

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
SCHEMBL10867747 0.89 MPO (0.53) SLC6A4SLC6A2SLC6A3HTR1AMPO
SCHEMBL10867330 0.89 MTNR1A (0.45) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL10868220 0.89 HTR2A (0.56) SLC6A4SLC6A2SLC6A3HTR1AMTNR1A
Hydrochloric Acid SCHEMBL10867337 0.86 SMN1; SMN2 (0.47) SLC6A4HTR1AHTR2A
SCHEMBL10868177 0.82 HTR2A (0.52) SLC6A4HTR1AHTR2A
SCHEMBL10866980 0.80 HTR2A (0.34) HTR1AHTR2A
SCHEMBL10868207 0.80 MPO (0.54) SLC6A4SLC6A2SLC6A3HTR1AMTNR1A
SCHEMBL10866988 0.80 HTR2A (0.59) SLC6A4SLC6A2SLC6A3HTR1AMTNR1A
SCHEMBL10868996 0.80 MTNR1A (0.49) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL10871125 0.78 SMN1; SMN2 (0.51) HTR1AHTR2A

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-0187122-A2 1,3,4-Trisubstituted azacycloalkanes or azacycloalkenes CIBA-GEIGY AG (CH) 1986-07-09 — — EP claimed
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