SCHEMBL8400142

SCHEMBL8400142

CC(C#N)CNCCC#N

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10936829 0.85 TSHR (0.40) TSHR
SCHEMBL6161515 0.81
SCHEMBL22631157 0.80 TSHR (0.43) TSHR
SCHEMBL1260379 0.77
SCHEMBL27522982 0.77
SCHEMBL11223644 0.77
SCHEMBL11336671 0.77
SCHEMBL6542359 0.76 TSHR (0.42) TSHRALDH1A1
SCHEMBL11139855 0.76 TSHR (0.33) TSHRTHRB
SCHEMBL4534601 0.74 TSHR (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36374-E 1,2,3-triazole and tetrazole substituted piperidine or tetrahydropyridine compounds useful as acetylcholine agonists H. LUNDBECK, A/S (DK) 1999-11-02 US disclosed
EP-0296721-B1 HETEROCYCLIC COMPOUNDS H. LUNDBECK A/S (DK) 1993-06-23 EP disclosed
EP-0336555-B1 4,5,6,7-TETRAHYDROISOTHIAZOLO (4,5-C)PYRIDINE DERIVATIVES AND ISOMERS H. LUNDBECK A/S (DK) 1992-09-30 EP disclosed
US-4925858-A NERVOUS SYSTEM DISORDERS, ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1990-05-15 US disclosed
US-4923880-A NERVOUS SYSTEM DISORDERS, ALZHEIMER*S DISEASE; ACETYLCHOLINE OR MUSCARINE AGONISTS H. LUNDBECK A/S (DK) 1990-05-08 US disclosed
EP-0336555-A1 4,5,6,7-Tetrahydroisothiazolo (4,5-c)pyridine derivatives and isomers H. LUNDBECK A/S (DK) 1989-10-11 EP disclosed
US-4866077-A TREATMENT OF NERVOUS SYSTEM DISORDERS SUCH AS ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1989-09-12 US disclosed
EP-0296721-A2 Heterocyclic compounds H. LUNDBECK A/S (DK) 1988-12-28 EP disclosed