SCHEMBL9521802

SCHEMBL9521802

O=C(c1ccc(F)cc1)N1CC2CC(CN(Cc3ccccc3)C2)C1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
SLC6A12 P48065 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
MCHR1 Q99705 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50

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
Ambasilide SCHEMBL246531 0.87 HSD11B1 (0.53) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
Ambasilide SCHEMBL427931 0.87 HSD11B1 (0.53) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9521359 0.87 KMT2A (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9521948 0.87 ALDH1A1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10409272 0.86 SIGMAR1 (0.68) SIGMAR1
SCHEMBL9520996 0.84 CYP2D6 (0.61) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9521157 0.84 ALDH1A1 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9523517 0.84 ALDH1A1 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9520394 0.83 HTT (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6318888 0.81 S1PR5 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308843-B1 Bispidin derivatives as class III antiarrhythmics BASF AG (DE) 1993-12-15 EP disclosed
US-4959373-A Bispidine derivatives as class III antiarrhythmic agents BASF AKTIENGESELLSCHAFT (DE) 1990-09-25 US disclosed
EP-0308843-A2 Bispidin derivatives as class III antiarrhythmics BASF Aktiengesellschaft (DE) 1989-03-29 EP disclosed