SCHEMBL13293323

SCHEMBL13293323

CSc1ccc(CN2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.69
▸ TNF P01375 1/20 0.65
▸ HRH4 Q9H3N8 1/20 0.62
▸ ALDH1A1 P00352 4/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ ATM Q13315 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ PTGIR P43119 1/20 0.58
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ NCF1 P14598 1/20 0.55
▸ GFER P55789 1/20 0.54
▸ MBTD1 Q05BQ5 1/20 0.53
▸ L3MBTL3 Q96JM7 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL4277270 0.83 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL17830792 0.83 SMN1; SMN2 (0.71) ALDH1A1KDM4EATMSMN1; SMN2MEN1
SCHEMBL25967979 0.83 ALDH1A1 (0.65) ALDH1A1KDM4EATMSMN1; SMN2MEN1
SCHEMBL13293708 0.81 HRH3 (0.64) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21884103 0.81 HRH3 (0.65) HRH3ALDH1A1KDM4EATMSMN1; SMN2
SCHEMBL5365785 0.81 SIGMAR1 (0.59) HRH3KDM4EATMSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7468055 0.81 HRH3 (0.95) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11201497 0.81 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL24047167 0.80 HRH3 (0.62) HRH3HRH4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10601850 0.80 SMN1; SMN2 (0.59) TNFALDH1A1KDM4EATMSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021236911-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-25 — — WO disclosed
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
WO-2009155209-A1 OPHTHALMIC FORMULATION OF RHO KINASE INHIBITOR COMPOUND INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-23 — — WO disclosed
WO-2008077057-A2 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2008-06-26 — — WO disclosed
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