SCHEMBL3645220

SCHEMBL3645220

CN1CCC(Oc2ccc(C(=O)O)c(N)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
BRD4 O60885 1/20 0.43
CHEK2 O96017 1/20 0.43
NEK2 P51955 2/20 0.43
LNPEP Q9UIQ6 1/20 0.43
MTHFD1 P11586 1/20 0.42
MTHFD2 P13995 1/20 0.42
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42
PLK1 P53350 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41

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
SCHEMBL29900960 0.87 MAOB (0.46) MAOBMEN1KMT2AHRH1CCR3
SCHEMBL3513800 0.84 GPR119 (0.42) MAOAMAOBSMN1; SMN2HRH3BRD4
SCHEMBL1645653 0.81 HRH3 (0.54) MAOAMAOBSMN1; SMN2HRH3BRD4
SCHEMBL3641397 0.80 LMNA (0.44) MAOAMAOBSMN1; SMN2HRH3BRD4
Hydrochloric Acid SCHEMBL590423 0.79 SMN1; SMN2 (0.44) MAOAMAOBSMN1; SMN2HRH3MTHFD1
SCHEMBL20043816 0.79 HRH3 (0.51) MAOAMAOBSMN1; SMN2HRH3BRD4
SCHEMBL3510502 0.78 CHEK2 (0.41) CHEK2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3644076 0.78 CHEK2 (0.41) CHEK2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25725413 0.77 HRH3 (0.50) MAOAMAOBSMN1; SMN2HRH3BRD4
SCHEMBL3458790 0.77 SRD5A1 (0.59) SMN1; SMN2HRH3CHEK2MTHFD1MTHFD2

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
EP-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 EP disclosed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 WO disclosed