SCHEMBL8843563

SCHEMBL8843563

CC(CCC1CCCN1)CC(C(=O)O)C(C(=O)O)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.42
GHSR Q92847 1/20 0.31
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NLRP1 Q9C000 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL8649503 0.87 FDPS (0.48) FDPSMEN1MITFLMNATP53
SCHEMBL8843664 0.82 FDPS (0.47) FDPSGHSRMEN1MITFLMNA
SCHEMBL8646454 0.81 FDPS (0.44) FDPSMEN1MITFLMNATP53
SCHEMBL8648798 0.80 FDPS (0.55) FDPSGHSRMEN1MITFLMNA
SCHEMBL27799803 0.72 FDPS (0.40) FDPSGHSRMEN1MITFLMNA
SCHEMBL8843534 0.69 GABRR1 (0.35) LMNACYP3A4
SCHEMBL25254484 0.68 FDPS (0.41) FDPSGHSRMEN1MITFLMNA
SCHEMBL5329885 0.68 FDPS (0.41) FDPSGHSRMEN1MITFLMNA
SCHEMBL29039357 0.68 FDPS (0.41) FDPSGHSRMEN1MITFLMNA
Hydrochloric Acid SCHEMBL27827437 0.67 FDPS (0.45) FDPSGHSRMEN1MITFLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748320-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-12-18 EP claimed
US-5627170-A Phosphonic acid compound containing heterocyclic substituents, pharmaceutical composition contains same and a method of treating calcium metabolism disturbance BOEHRINGER MANNHEIM GMBH (DE) 1997-05-06 US disclosed
EP-0734381-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-10-02 EP disclosed
US-5538957-A OSTEOPOROSIS BOEHRINGER MANNHEIM GMBH (DE) 1996-07-23 US disclosed