SCHEMBL15516352

SCHEMBL15516352

c1cc(C2CCN(C3CCCC3)C2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
PARP1 P09874 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
HRH3 Q9Y5N1 7/20 0.37
CHIT1 Q13231 2/20 0.36
CHIA Q9BZP6 2/20 0.36
KCNH2 Q12809 4/20 0.34
CYP3A4 P08684 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
ABCB1 P08183 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
SCHEMBL17896811 0.76 KDM4E (0.41)
SCHEMBL644676 0.75 HRH4 (0.36) JAK2JAK1
SCHEMBL20473440 0.74 L3MBTL3 (0.45) SLC18A3
SCHEMBL18866160 0.74 RAB9A (0.38) CYP3A4
SCHEMBL2765846 0.74 KMT2A (0.38) JAK2JAK1
SCHEMBL2382277 0.74 KMT2A (0.38) JAK2JAK1
SCHEMBL389567 0.74 KMT2A (0.38) JAK2JAK1
SCHEMBL30463126 0.74 KMT2A (0.38) JAK2JAK1
SCHEMBL25040535 0.73 KCNH2 (0.41) PARP1KCNH2
SCHEMBL15587343 0.73 KCNH2 (0.41) PARP1KCNH2

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-2892892-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR!THE TREATMENT OF CANCER Janssen Pharmaceutica N.V. (BE) 2015-07-15 EP disclosed
WO-2014039769-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR|THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2014-03-13 WO disclosed