SCHEMBL19233170

SCHEMBL19233170

C=CC[C@@H](CC)CCCNc1nccc(C2CC[C@@H](NC)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.42
▸ MERTK Q12866 16/20 0.37
▸ TYRO3 Q06418 15/20 0.36
▸ FLT3 P36888 10/20 0.36
▸ GAS6 Q14393 10/20 0.36
▸ AXL P30530 8/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL16273403 0.71 HRH4 (0.46) HRH4
SCHEMBL16273407 0.68 IDH1 (0.44) HRH4MERTKTYRO3FLT3GAS6
SCHEMBL16275101 0.62 IDH1 (0.35) HRH4HRH3
SCHEMBL19881654 0.60 ALDH1A1 (0.33) —
SCHEMBL1588074 0.59 HRH4 (1.00) HRH4HRH3
SCHEMBL1588070 0.59 HRH4 (1.00) HRH4HRH3
SCHEMBL24042813 0.59 SYK (0.40) FLT3
SCHEMBL17700440 0.58 CHRNA7 (0.53) HRH4HRH3
SCHEMBL19840954 0.57 — —
SCHEMBL1588110 0.57 HRH4 (0.65) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732087-B2 Diamino-pyridine, pyrimidine, and pyridazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-15 — — US disclosed
Send feedback