SCHEMBL6252633

SCHEMBL6252633

C[C@@H](CNC(=O)OCc1ccccc1)n1ncc2ccc3oc(CC#N)cc3c21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.40
CTSL P07711 10/20 0.40
CTSB P07858 6/20 0.40
CTSK P43235 3/20 0.39
ATM Q13315 2/20 0.39
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL6250919 0.90 ATM (0.41) CTSSCTSLCTSBATMHTR2C
SCHEMBL6252579 0.89 ATM (0.40) CTSSCTSLCTSBATMHTR2C
SCHEMBL6254005 0.86 ATM (0.41) CTSSCTSLCTSBATMHTR2C
SCHEMBL6253366 0.86 MTNR1A (0.47) ATMHTR2CHTR2AHTR2B
SCHEMBL3965535 0.82 HTR2C (0.45) CTSSCTSLCTSBCTSKATM
SCHEMBL6251561 0.82 ATM (0.40) ATM
SCHEMBL6255885 0.80 ALDH1A1 (0.42) ATM
SCHEMBL5796714 0.75 MAPK1 (0.38) CTSSCTSLCTSBCTSKATM
SCHEMBL6255179 0.74 MAPK1 (0.38) CTSSCTSLCTSBCTSKATM
SCHEMBL7009702 0.73 KMO (0.44) CTSSCTSLCTSBCTSKATM

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
WO-2005053688-A1 SUBSTITUTED FURO[2,3-G] INDAZOLES FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2005-06-16 WO disclosed