SCHEMBL11769845

SCHEMBL11769845

CN(C)C(=O)CC1(C)OCCC2=C1Cc1ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ RAB9A P51151 3/20 0.30
▸ NPC1 O15118 2/20 0.30
▸ LMNA P02545 2/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL11769217 0.88 MEN1 (0.35) OPRM1KCNH2ALDH1A1RAB9ANPC1
SCHEMBL11769649 0.86 TSHR (0.38) OPRM1ADRA2ASLC6A2SLC6A4CHRM2
SCHEMBL11774087 0.85 ADRA2A (0.33) OPRM1ADRA2ASLC6A2SLC6A4CHRM2
SCHEMBL11770645 0.84 GAA (0.42) ALDH1A1LMNAL3MBTL1GAAMAPT
SCHEMBL11771361 0.83 NOTUM (0.35) OPRM1ADRA2ASLC6A2SLC6A4CHRM2
SCHEMBL11768763 0.83 RAB9A (0.35) OPRM1ADRA2ASLC6A2SLC6A4CHRM2
SCHEMBL11772461 0.81 RAB9A (0.36) OPRM1ADRA2ASLC6A2SLC6A4CHRM2
SCHEMBL11767677 0.81 SLC6A2 (0.35) OPRM1ADRA2ASLC6A2SLC6A4CHRM2
SCHEMBL11767075 0.81 OPRM1 (0.32) OPRM1ADRA2ASLC6A2SLC6A4OPRL1
SCHEMBL11767082 0.81 CHRM2 (0.37) OPRM1ADRA2ASLC6A2SLC6A4CHRM2

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
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