SCHEMBL11222602

SCHEMBL11222602

CC(C)C1OC2(CCN(CC(O)C3COc4ccccc4O3)CC2)CN(C)C1=O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.57
OPRM1 P35372 7/20 0.57
KCNH2 Q12809 4/20 0.57
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LTA4H P09960 2/20 0.38
DRD2 P14416 5/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 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
SCHEMBL11231742 0.89 SIGMAR1 (0.54) SIGMAR1OPRM1KCNH2
SCHEMBL11236302 0.87 SIGMAR1 (0.56) SIGMAR1OPRM1KCNH2LMNAMAPT
SCHEMBL11370945 0.84 LTA4H (0.41) SIGMAR1OPRM1KCNH2LMNAMAPT
Hydrochloric Acid SCHEMBL11367863 0.83 LTA4H (0.40) SIGMAR1OPRM1KCNH2LMNAMAPT
SCHEMBL11228036 0.82 SIGMAR1 (0.52) SIGMAR1OPRM1KCNH2LMNAMAPT
SCHEMBL11231772 0.82 SIGMAR1 (0.63) SIGMAR1OPRM1KCNH2LTA4HDRD2
SCHEMBL11374570 0.79 LMNA (0.40) SIGMAR1OPRM1KCNH2LMNAMAPT
Hydrochloric Acid SCHEMBL11370032 0.78 ALDH1A1 (0.40) SIGMAR1OPRM1KCNH2LMNAMAPT
SCHEMBL11360418 0.77 ALDH1A1 (0.40) SIGMAR1OPRM1KCNH2LMNAMAPT
SCHEMBL11224661 0.77 OPRM1 (0.41) SIGMAR1OPRM1KCNH2DRD2ALDH1A1

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
US-4353901-A HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIAMIGRAINE, VASOSPASTIC DISORDERS, ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed