SCHEMBL10409272

SCHEMBL10409272

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

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.68
PRKAB2 O43741 3/20 0.59
PRKAG1 P54619 3/20 0.59
PRKAA2 P54646 3/20 0.59
PRKAA1 Q13131 3/20 0.59
PRKAG3 Q9UGI9 3/20 0.59
PRKAG2 Q9UGJ0 3/20 0.59
PRKAB1 Q9Y478 3/20 0.59
HIF1A Q16665 1/20 0.55
EPAS1 Q99814 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
USP2 O75604 2/20 0.49
FAAH O00519 1/20 0.49
CHRM4 P08173 1/20 0.48
ADRB2 P07550 1/20 0.47

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
SCHEMBL9521802 0.86 SIGMAR1 (0.50) SIGMAR1
SCHEMBL9521948 0.84 ALDH1A1 (0.50) MEN1KMT2A
Ambasilide SCHEMBL427931 0.84 HSD11B1 (0.53) SIGMAR1MEN1KMT2A
Ambasilide SCHEMBL246531 0.84 HSD11B1 (0.53) SIGMAR1MEN1KMT2A
SCHEMBL9521359 0.84 KMT2A (0.58) MEN1KMT2A
SCHEMBL9523517 0.81 ALDH1A1 (0.51) MEN1KMT2A
SCHEMBL9520996 0.81 CYP2D6 (0.61) SIGMAR1HIF1AMEN1KMT2AUSP2
SCHEMBL9521157 0.81 ALDH1A1 (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9520394 0.80 HTT (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6318888 0.78 S1PR5 (0.53) MEN1KMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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