SCHEMBL15085656

SCHEMBL15085656

CN1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)CC(C3CCCCC3)N(C)C(=O)O)CC4)nc(N)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.42
HTR3A P46098 1/20 0.42
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
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
SCHEMBL15085669 0.87 HRH4 (0.46) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2806653 0.86 HRH4 (0.42) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL13125615 0.83 HRH4 (0.43) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2806059 0.82 HRH4 (0.52) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2803345 0.82 HRH4 (0.48) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL29406586 0.82 HRH4 (0.49) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2805270 0.82 HRH4 (0.49) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2803688 0.81 HRH4 (0.48) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2804972 0.80 HRH4 (0.49) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2804325 0.80 HRH4 (0.49) HRH4HTR3AHTR1AADRA2AADRA2C

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-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US claimed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed