SCHEMBL13293708

SCHEMBL13293708

CCSc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.64
▸ HRH4 Q9H3N8 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ PTGIR P43119 1/20 0.55
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NCF1 P14598 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MBTD1 Q05BQ5 1/20 0.50
▸ L3MBTL3 Q96JM7 1/20 0.50
▸ L3MBTL1 Q9Y468 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
SCHEMBL13293323 0.81 HRH3 (0.69) HRH3HRH4ALDH1A1KDM4EMEN1
SCHEMBL4277270 0.80 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4EMEN1
SCHEMBL17967907 0.80 HRH3 (0.46) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL155167 0.79 HRH3 (0.78) HRH3HRH4ALDH1A1KDM4EMEN1
SCHEMBL14418007 0.79 CHRNB2 (0.62) ALDH1A1KDM4EGFER
Hydrochloric Acid SCHEMBL7468055 0.78 HRH3 (0.95) HRH3HRH4ALDH1A1KDM4EMEN1
SCHEMBL11201497 0.78 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL24047167 0.77 HRH3 (0.62) HRH3HRH4ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL7406183 0.77 HRH3 (0.75) HRH3HRH4ALDH1A1KDM4EMEN1
SCHEMBL4750722 0.77 ADRA1D (0.56) KMT2APOLBMBTD1L3MBTL3L3MBTL1

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
WO-2010065782-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2010-06-10 — — WO disclosed
WO-2009158587-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-30 — — WO disclosed
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