SCHEMBL8196563

SCHEMBL8196563

CN1CCC=C(c2nsnc2SCCCCSc2nsnc2C2=CCCN(C)C2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 1.00
CHRM4 P08173 3/20 0.97
SIGMAR1 Q99720 2/20 0.86

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
SCHEMBL8189336 0.99 CHRM1 (1.00) CHRM1CHRM4SIGMAR1
SCHEMBL8189299 0.99 CHRM1 (1.00) CHRM1CHRM4SIGMAR1
SCHEMBL8196549 0.97 CHRM1 (1.00) CHRM1CHRM4SIGMAR1
SCHEMBL6912246 0.95 CHRM1 (0.90) CHRM1CHRM4
SCHEMBL6911698 0.94 CHRM1 (0.91) CHRM1CHRM4
SCHEMBL6940009 0.94 CHRM1 (0.88) CHRM1CHRM4SIGMAR1
Tazomeline SCHEMBL195235 0.94 CHRM1 (0.91) CHRM1CHRM4
SCHEMBL6915120 0.94 CHRM1 (0.91) CHRM1CHRM4
SCHEMBL6916110 0.94 CHRM1 (0.88) CHRM1CHRM4SIGMAR1
SCHEMBL6915565 0.94 CHRM1 (0.88) CHRM1CHRM4SIGMAR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628041-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 2000-07-12 EP claimed
US-5977129-A ALZHEIMER'S DISEASE NOVO NORDISK A/S (DK) 1999-11-02 US claimed
EP-0628041-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-12-14 EP claimed
WO-1993014089-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-07-22 WO claimed
WO-1993014090-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-07-22 WO claimed
EP-0628041-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 2000-07-12 EP disclosed
US-5977129-A ALZHEIMER'S DISEASE NOVO NORDISK A/S (DK) 1999-11-02 US disclosed
US-5414009-A Cognition activators, analgesics; Alzheimer's disease, glaucoma NOVO NORDISK A/S (DK) 1995-05-09 US disclosed
EP-0628041-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-12-14 EP disclosed
WO-1993014089-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-07-22 WO disclosed
WO-1993014090-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-07-22 WO disclosed