SCHEMBL11533307

SCHEMBL11533307

O=C1c2ccccc2C[C@H]2CNCC[C@H]12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.50
HTR2C P28335 9/20 0.44
HTR2B P41595 9/20 0.44
HTR2A P28223 8/20 0.44
DRD2 P14416 5/20 0.40
SIGMAR1 Q99720 5/20 0.40
METAP1 P53582 2/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL11533311 1.00 ACHE (0.50) ACHEHTR2CHTR2BHTR2ADRD2
SCHEMBL11533310 1.00 ACHE (0.50) ACHEHTR2CHTR2BHTR2ADRD2
SCHEMBL11034810 0.83 ACHE (0.56) ACHEHTR2CHTR2BHTR2AMETAP1
Hydrochloric Acid SCHEMBL9592368 0.79 ACHE (0.63) ACHEHTR2CHTR2BHTR2ADRD2
SCHEMBL14328460 0.78 ACHE (0.57) ACHEHTR2CHTR2BHTR2ADRD2
SCHEMBL12998132 0.78 ACHE (0.57) ACHEHTR2CHTR2BHTR2ADRD2
SCHEMBL7376647 0.77 HTR2C (0.42) HTR2CHTR2BHTR2ASIGMAR1
SCHEMBL7939001 0.74 ACHE (0.65) ACHEHTR2CHTR2BHTR2ADRD2
SCHEMBL13391138 0.74 ACHE (0.56) ACHEHTR2CHTR2BHTR2ADRD2
SCHEMBL14157895 0.73 ACHE (0.63) ACHEMETAP1TSHR

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-4150136-A ANTIDEPRESSANTS, ANALGESICS SANDOZ LTD. (CH) 1979-04-17 US disclosed