SCHEMBL14693261

SCHEMBL14693261

C[C@H]1CN(c2cc(N)nc(NC[C@H]3CC[C@H](CNCCCNC4CCCCC4)CC3)n2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.54
PRKD1 Q15139 2/20 0.42
PRKD2 Q9BZL6 2/20 0.42
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CXCR4 P61073 6/20 0.36
IGF1R P08069 3/20 0.35

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
SCHEMBL13668486 1.00 HRH4 (0.54) HRH4PRKD1PRKD2KCNH2HRH3
SCHEMBL13667217 1.00 HRH4 (0.54) HRH4PRKD1PRKD2KCNH2HRH3
SCHEMBL13668487 1.00 HRH4 (0.54) HRH4PRKD1PRKD2KCNH2HRH3
SCHEMBL14693246 1.00 HRH4 (0.54) HRH4PRKD1PRKD2KCNH2HRH3
SCHEMBL13667218 0.91 HRH4 (0.58) HRH4KCNH2HRH3CXCR4
SCHEMBL14693270 0.91 HRH4 (0.58) HRH4KCNH2HRH3CXCR4
SCHEMBL14693243 0.88 HRH4 (0.53) HRH4PRKD1PRKD2HRH3CXCR4
SCHEMBL13667233 0.88 HRH4 (0.53) HRH4PRKD1PRKD2HRH3CXCR4
SCHEMBL16790181 0.88 HRH4 (0.53) HRH4PRKD1PRKD2HRH3CXCR4
SCHEMBL13667194 0.88 HRH4 (0.53) HRH4PRKD1PRKD2HRH3CXCR4

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-8372849-B2 Heterocyclic compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-02-12 US disclosed