SCHEMBL8400421

SCHEMBL8400421

C=C=Cn1nnc(C2=CCCNC2)n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.53
CHRM3 P20309 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL8400708 0.73 CHRM2 (0.66) CHRM2CHRM3HTR2AHTR2CHTR2B
SCHEMBL12043365 0.72 CHRM2 (0.68) CHRM2CHRM3
SCHEMBL6023321 0.70 CHRM2 (1.00) CHRM2CHRM3
SCHEMBL8401454 0.70 CHRM2 (0.65) CHRM2CHRM3HTR2AHTR2CHTR2B
SCHEMBL7471858 0.61 CHRM2 (0.46) CHRM2CHRM3HTR2AHTR2CHTR2B
SCHEMBL9521006 0.61 CHRM2 (0.50) CHRM2CHRM3HTR2AHTR2CHTR2B
SCHEMBL8400217 0.60 CHRM2 (0.49) CHRM2CHRM3HTR2AHTR2CHTR2B
SCHEMBL4790041 0.57 ADRA2A (0.56) CHRM2CHRM3HTR2AHTR2CHTR2B
SCHEMBL4789087 0.56 ADRA2A (0.59) CHRM2CHRM3HTR2AHTR2CHTR2B
SCHEMBL9724711 0.55 CHRM2 (0.52) CHRM2CHRM3HTR2AHTR2CHTR2B

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 7 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 claimed
US-4866077-A TREATMENT OF NERVOUS SYSTEM DISORDERS SUCH AS ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1989-09-12 US claimed
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
US-4925858-A NERVOUS SYSTEM DISORDERS, ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1990-05-15 US 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