SCHEMBL7028133

SCHEMBL7028133

CC(=N)NC1(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 14/20 0.37
PDE3A Q14432 2/20 0.37
LMNA P02545 1/20 0.37
ADRB3 P13945 1/20 0.37
PDE4D Q08499 1/20 0.37
GGPS1 O95749 6/20 0.34

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
SCHEMBL9013367 0.71 ADRA2A (0.40) LMNA
SCHEMBL21028439 0.69 FDPS (0.45) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL27364236 0.69 CYP4F2 (0.34)
SCHEMBL10341436 0.69 FDPS (0.45) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9435840 0.69 FDPS (0.45) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL10341390 0.69 FDPS (0.41) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9013011 0.69 ALDH1A1 (0.40) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL23864907 0.68
SCHEMBL10341385 0.67 FDPS (0.47) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8745062 0.65 FDPS (0.48) FDPSPDE3ALMNAADRB3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995012600-A1 CONDENSED DIBENZOXAZEPINES OR DIBENZOTHIAZEPINES USEFUL AS PROSTAGLANDIN-E2 ANTAGONISTS G. D. SEARLE & CO. (US) 1995-05-11 WO claimed
US-20030004140-A1 Methods for modulating cell-adhesion mediated drug resistance NATIONAL INSTITUTES OF HEALTH 2003-01-02 US disclosed
WO-2001064207-A2 METHODS OF MODULATING CELL-ADHESION MEDIATED DRUG RESISTANCE UNIVERSITY OF SOUTH FLORIDA (US) 2001-09-07 WO disclosed
EP-0651757-B1 NOVEL ACYCLIC AMIDINE-GROUP-CONTAINING DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-01-29 EP disclosed
US-5543561-A CALCIUM METABOLISM DISTURBANCES BOEHRINGER MANNHEIM GMBH (DE) 1996-08-06 US disclosed
EP-0651757-A1 NOVEL ACYCLIC AMIDINE-GROUP-CONTAINING DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING THESE COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1995-05-10 EP disclosed
WO-1994002492-A1 NOVEL ACYCLIC AMIDINE-GROUP-CONTAINING DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1994-02-03 WO disclosed