SCHEMBL13646754

SCHEMBL13646754

Cc1cc2cc(C(=O)N3CCN(C)CC3)ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.64
KDR P35968 1/20 0.60
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
HRH3 Q9Y5N1 3/20 0.55
HRH1 P35367 1/20 0.55
OXTR P30559 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD11B1 P28845 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL3389775 0.85 HRH3 (0.50) HRH4HRH3OXTR
SCHEMBL20449044 0.80 HPGD (0.87) HPGDTSHRMEN1KMT2APOLB
SCHEMBL3039407 0.79 MAPK14 (0.64) HRH4KDRHPGDTSHRMEN1
SCHEMBL8262960 0.78 MEN1 (0.60) HRH4KDRHPGDTSHRHRH3
SCHEMBL6489709 0.77 KDR (0.59) HRH4KDRHPGDTSHRHRH3
SCHEMBL17468532 0.76 HRH4 (0.62) HRH4KDRHPGDTSHRHRH3
SCHEMBL5078878 0.75 KDR (1.00) HRH4KDRHPGDTSHR
SCHEMBL13290547 0.75 GPR183 (0.61) HRH4KDRHPGDTSHRHRH3
SCHEMBL601515 0.75 HRH4 (1.00) HRH4HRH3HRH1MEN1KMT2A
SCHEMBL4548025 0.75 TSHR (1.00) KDRHPGDTSHRHRH3MEN1

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
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed