SCHEMBL16799731

SCHEMBL16799731

[c]1c[nH]nc1CC1CCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 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
SCHEMBL26131630 0.94 HTR3A (0.40) JAK2JAK1TYK2JAK3HTR3A
SCHEMBL15008660 0.92
SCHEMBL22121629 0.85 GBA1 (0.42) HRH4
SCHEMBL20535826 0.84 MAPK1 (0.33)
SCHEMBL20535685 0.78 MCHR1 (0.34)
SCHEMBL20599456 0.67 ALDH1A1 (0.31)
SCHEMBL7854040 0.65
SCHEMBL27634624 0.63 HRH4 (0.34) JAK2JAK1TYK2JAK3HTR3A
SCHEMBL26129989 0.62 GRIN2D (0.32)
SCHEMBL21384244 0.61 CACNA1H (0.31)

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-3077387-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER Janssen Pharmaceutica, N.V. (BE) 2016-10-12 EP claimed
WO-2015084606-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 WO claimed