SCHEMBL11772425

SCHEMBL11772425

CC1(C=O)OCCC2=C1Cc1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ TDP2 O95551 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 2/20 0.32

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
SCHEMBL11769706 0.76 ADRA2A (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL11770791 0.76 UTS2R (0.33) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL11772501 0.75 ADRA2A (0.38) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL11767082 0.74 CHRM2 (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL11772497 0.74 HTR2A (0.38) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL11771917 0.74 CHRM2 (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL11769649 0.73 TSHR (0.38) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL11773657 0.73 ADRA2A (0.34) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL11767677 0.72 SLC6A2 (0.35) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL11769642 0.72 CHRM2 (0.35) CHRM2HTR1AADRA2ACHRM1DRD1

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-3995052-A Indenopyran- and indenothiopyranalkylamines III in the treatment of depression AYERST MCKENNA AND HARRISON LTD. (CA) 1976-11-30 — — US disclosed
Send feedback