SCHEMBL9866073

SCHEMBL9866073

Cc1ncnc2c1nc(CC1CCN(Cc3ccccc3)CC1)n2Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.44
SSTR5 P35346 1/20 0.44
LMNA P02545 1/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL9564964 0.89 ALDH1A1 (0.46) CCR3SSTR5LMNASLC6A4SLC6A3
SCHEMBL9564830 0.88 SSTR5 (0.43) CCR3SSTR5LMNAACHEBACE1
SCHEMBL9564956 0.83 CYP1A2 (0.54) CCR3SSTR5LMNAALDH1A1TSHR
SCHEMBL9564912 0.81 HSD17B10 (0.46) LMNAALDH1A1TSHR
SCHEMBL9564846 0.81 POLB (0.45) CCR3SSTR5TSHR
SCHEMBL9535367 0.79 SLC6A9 (0.58) CCR3SSTR5LMNA
SCHEMBL9564890 0.78 ALDH1A1 (0.46) CCR3SSTR5SLC6A4SLC6A3ALDH1A1
SCHEMBL9564783 0.77 CYP3A4 (0.39) ALDH1A1TSHR
SCHEMBL11015094 0.77 SSTR5 (0.49) CCR3SSTR5BCHEACHEBACE1
SCHEMBL9536543 0.77 SSTR5 (0.66) SSTR5LMNASLC6A3ALDH1A1TSHR

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-5041448-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-20 US disclosed
EP-0206415-A2 (4-Piperidinylmethyl and -hetero)purines JANSSEN PHARMACEUTICA N.V. (BE) 1986-12-30 EP disclosed