SCHEMBL9532405

SCHEMBL9532405

CSc1ccc(C2=CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.59
▸ QDPR P09417 3/20 0.59
▸ SIGMAR1 Q99720 2/20 0.59
▸ HTR6 P50406 1/20 0.54
▸ KHK P50053 5/20 0.46

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
Hydrochloric Acid SCHEMBL9531890 0.98 HTR2C (0.61) HTR2CQDPRSIGMAR1HTR6KHK
SCHEMBL4821108 0.82 HTR2C (0.60) HTR2CQDPRSIGMAR1HTR6KHK
SCHEMBL4671168 0.79 HTR2C (0.66) HTR2CQDPRSIGMAR1HTR6KHK
Hydrochloric Acid SCHEMBL7290341 0.77 HTR2C (0.67) HTR2CQDPRSIGMAR1HTR6KHK
SCHEMBL4700508 0.77 HTR2C (0.47) HTR2CQDPRSIGMAR1HTR6KHK
SCHEMBL4698853 0.76 KHK (0.46) HTR2CQDPRSIGMAR1HTR6KHK
SCHEMBL4702528 0.75 SIGMAR1 (0.54) HTR2CQDPRSIGMAR1HTR6KHK
SCHEMBL1199051 0.75 HTR2C (1.00) HTR2CQDPRSIGMAR1HTR6
SCHEMBL19998281 0.75 HTR2C (0.66) HTR2CQDPRSIGMAR1HTR6
SCHEMBL8380936 0.75 QDPR (1.00) HTR2CQDPRSIGMAR1

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
EP-0556342-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-08-25 — — EP disclosed
WO-1992007854-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET KV. (HU) 1992-05-14 — — WO disclosed
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