SCHEMBL10845441

SCHEMBL10845441

CC(c1ccccc1)N1CC(Oc2ccc(C#N)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.56
NAAA Q02083 1/20 0.46
PDE9A O76083 3/20 0.46
CYP2D6 P10635 1/20 0.42
OPRD1 P41143 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL10850002 0.86 SLC6A2 (0.48) HRH3PDE9ACYP2D6KCNH2
SCHEMBL10807365 0.85 CYP2D6 (0.53) HRH3NAAAPDE9ACYP2D6OPRD1
SCHEMBL10850553 0.83 CYP2D6 (0.47) NAAAPDE9ACYP2D6OPRD1
SCHEMBL10850169 0.83 CYP2D6 (0.47) HRH3NAAAPDE9ACYP2D6MEN1
SCHEMBL20068919 0.83 HRH3 (0.73) HRH3NAAAPDE9AGRIN1GRIN2B
SCHEMBL10850371 0.78 PDE9A (0.46) HRH3PDE9ACYP2D6MEN1KMT2A
SCHEMBL10850217 0.77 SRD5A1 (0.45) CYP2D6OPRD1KCNH2
SCHEMBL10851860 0.76 OPRK1 (0.52) CYP2D6OPRD1KMT2AKCNH2
SCHEMBL10854349 0.76 CYP2D6 (0.46) PDE9ACYP2D6OPRD1KCNH2
SCHEMBL4236739 0.75 HRH3 (0.84) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0102740-B1 N-FORMYL AND N-HYDROXYMETHYL-3-PHENOXY-1-AZETIDINECARBOXAMIDES AND THEIR PREPARATION AND USE A.H. ROBINS COMPANY, INCORPORATED (US) 1986-11-05 EP disclosed
EP-0102194-B1 3-PHENOXY-1-AZETIDINECARBOXAMIDES AND THEIR USE AND PREPARATION A.H. ROBINS COMPANY, INCORPORATED (US) 1986-10-22 EP disclosed
US-4571393-A ANTICONVULSANT TREATMENT FOR MAMMALS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-02-18 US disclosed
US-4505907-A ANTICONVULSANTS A. H. ROBINS COMPANY, INC. (US) 1985-03-19 US disclosed
EP-0102740-A1 N-formyl and n-hydroxymethyl-3-phenoxy-1-azetidinecarboxamides and their preparation and use A.H. ROBINS COMPANY, INCORPORATED (US) 1984-03-14 EP disclosed
EP-0102194-A1 3-Phenoxy-1-azetidinecarboxamides and their use and preparation A.H. ROBINS COMPANY, INCORPORATED (US) 1984-03-07 EP disclosed