SCHEMBL7368230

SCHEMBL7368230

COC[C@H]1c2ccccc2CCN1C(=O)C(F)(F)F.COC[C@H]1c2ccccc2CCN1C(=O)C(F)(F)F.O=C(OC(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
OPRD1 P41143 1/20 0.41
ACE P12821 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KEAP1 Q14145 3/20 0.39
DRD1 P21728 1/20 0.38

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
SCHEMBL8125912 0.94 MTNR1B (0.54) MTNR1BMEN1KMT2AESR1ESR2
SCHEMBL8125915 0.94 MTNR1B (0.54) MTNR1BMEN1KMT2AESR1ESR2
SCHEMBL8125910 0.94 MTNR1B (0.54) MTNR1BMEN1KMT2AESR1ESR2
SCHEMBL14959567 0.78 MTNR1B (0.52) MTNR1BMEN1KMT2AOPRD1ACE
SCHEMBL8125615 0.77 MTNR1B (0.47) MTNR1BMEN1KMT2AESR1ESR2
SCHEMBL7435382 0.77 MTNR1B (0.47) MTNR1BMEN1KMT2AESR1ESR2
SCHEMBL7435390 0.77 MTNR1B (0.47) MTNR1BMEN1KMT2AESR1ESR2
SCHEMBL11929926 0.76 MTNR1B (0.47) MTNR1BMEN1KMT2ANPSR1ALDH1A1
SCHEMBL12187751 0.76 MTNR1B (0.49) MTNR1BMEN1KMT2AOPRD1NPSR1
SCHEMBL30878595 0.75 DRD1 (0.55) MTNR1BESR1ESR2ACENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822934-A1 ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-02-11 EP disclosed
WO-1996033993-A1 ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1996-10-31 WO disclosed