SCHEMBL9257877

SCHEMBL9257877

COc1ccccc1C(c1ccccc1OC)C1CC[N]CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ACHE P22303 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2C P28335 2/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
CHRNB4 P30926 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
SCHEMBL9251008 0.91 IDO1 (0.43) CHRM5IDO1TDO2SLC6A2SLC6A4
SCHEMBL9256092 0.79 SLC6A2 (0.40) ACHEADRA2AADRA2BADRA2CHTR2C
SCHEMBL9253636 0.75 OPRL1 (0.38) ADRA2AIDO1TDO2SLC6A2SLC6A4
SCHEMBL9257472 0.75 MCOLN2 (0.36) IDO1TDO2CHRNB4CHRNA3ALDH1A1
SCHEMBL9251016 0.72 ALDH1A1 (0.44) ALDH1A1
SCHEMBL9256621 0.72 IDO1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2093016 0.71 CA12 (0.48) CA1CA2CA12CA4CA7
SCHEMBL577967 0.71 HTR2C (0.64) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL3126948 0.71 HTR1A (0.43) ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL23848197 0.71 SLC6A2 (0.50) HTR2CCHRNB4CHRNA3SLC6A2SLC6A4

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
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed