SCHEMBL14693243

SCHEMBL14693243

Nc1cc(N2CCNCC2)nc(NC[C@H]2CC[C@H](CNCCCNC3CCCCC3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.53
HRH3 Q9Y5N1 1/20 0.40
CXCR4 P61073 10/20 0.39
ADRB1 P08588 1/20 0.38
PRKD1 Q15139 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38

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
SCHEMBL16790181 1.00 HRH4 (0.53) HRH4HRH3CXCR4ADRB1PRKD1
SCHEMBL13667233 1.00 HRH4 (0.53) HRH4HRH3CXCR4ADRB1PRKD1
SCHEMBL13667194 1.00 HRH4 (0.53) HRH4HRH3CXCR4ADRB1PRKD1
SCHEMBL14693345 0.99 HRH4 (0.54) HRH4HRH3CXCR4ADRB1PRKD1
SCHEMBL13667253 0.99 HRH4 (0.54) HRH4HRH3CXCR4ADRB1PRKD1
SCHEMBL14693242 0.97 HRH4 (0.51) HRH4HRH3CXCR4ADRB1PRKD1
SCHEMBL13667200 0.97 HRH4 (0.51) HRH4HRH3CXCR4ADRB1PRKD1
SCHEMBL13666989 0.93 HRH4 (0.55) HRH4HRH3ADRB1PRKD1PRKD2
SCHEMBL13668864 0.93 HRH4 (0.55) HRH4HRH3ADRB1PRKD1PRKD2
SCHEMBL13668486 0.88 HRH4 (0.54) HRH4HRH3CXCR4PRKD1PRKD2

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-2268635-B1 HETEROCYCLIC COMPOUNDS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2015-06-10 EP disclosed
US-8372849-B2 Heterocyclic compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-02-12 US disclosed