SCHEMBL9829070

SCHEMBL9829070

CC(=O)CNC1(c2ccc(OCCCN(C)C3CCCCC3)cc2)Sc2ccccc2N(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.36
PDE3A Q14432 10/20 0.36
P2RY12 Q9H244 9/20 0.36
PDE2A O00408 7/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
LSS P48449 2/20 0.35
PPARG P37231 1/20 0.34
ACHE P22303 1/20 0.33
HTR2A P28223 2/20 0.33
CACNA1B Q00975 2/20 0.33
CACNA1H O95180 1/20 0.33

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
SCHEMBL9829076 0.83 LSS (0.36) PDE3BPDE3AP2RY12PDE2ATP53
SCHEMBL9829068 0.82 MEN1 (0.33) TP53MAPT
Hydrochloric Acid SCHEMBL9828345 0.81 PPARG (0.34) PDE3BPDE3AP2RY12PDE2ATP53
Oxalic Acid SCHEMBL10674416 0.79 LSS (0.41) PDE3BPDE3AP2RY12PDE2ATP53
SCHEMBL9831388 0.79 ALDH1A1 (0.37) TP53MAPTLSSPPARGCACNA1B
Hydrochloric Acid SCHEMBL9829279 0.76 LSS (0.37) PDE3BPDE3AP2RY12PDE2ALSS
SCHEMBL9831087 0.75 CNR1 (0.37) MAPT
SCHEMBL10674566 0.70 LSS (0.40) PDE3BPDE3AP2RY12PDE2ALSS
SCHEMBL10674795 0.70 LSS (0.40) PDE3BPDE3AP2RY12PDE2ALSS
SCHEMBL10859447 0.70 MAPT (0.36) PDE3BPDE3AP2RY12PDE2ATP53

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
EP-0233291-B1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-03-13 EP disclosed
US-4739050-A CALCIUM ANTAGONIST, ANTICOAGULANT SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0233291-A1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-08-26 EP disclosed