SCHEMBL9484259

SCHEMBL9484259

CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)CN1CCCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
SYK P43405 1/20 0.44
P2RX7 Q99572 8/20 0.44
CTSL P07711 3/20 0.44
BACE1 P56817 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
OPRK1 P41145 1/20 0.42
CTSS P25774 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9484631 0.85 P2RX7 (0.59) P2RX7CTSLCTSSKMT2A
SCHEMBL9484626 0.85 P2RX7 (0.59) P2RX7CTSLCTSSKMT2A
SCHEMBL30674897 0.84 PPARA (0.50) P2RX7CTSLBACE1OPRK1
SCHEMBL30674918 0.84 CTSL (0.47) P2RX7CTSLBACE1OPRK1
SCHEMBL31219188 0.84 CTSL (0.47) P2RX7CTSLBACE1OPRK1
SCHEMBL4971715 0.83 MEN1 (0.49) ATMSYKCTSLBACE1CA1
SCHEMBL4971702 0.83 MEN1 (0.49) ATMSYKCTSLBACE1CA1
SCHEMBL272157 0.83 ATM (0.64) ATMSYKCTSLCTSSKMT2A
SCHEMBL30757694 0.82 ATM (0.60) ATMSYKCTSLOPRK1CTSS
SCHEMBL31404216 0.82 ATM (0.60) ATMSYKCTSLOPRK1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5245034-A Compound having vessel smooth muscle relaxation activity Hidaka, Kiroyoshi (JP) 1993-09-14 US disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 US disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 US disclosed