SCHEMBL7435382

SCHEMBL7435382

CN(C)C(=O)CC1c2ccccc2CCN1C(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.47
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRM1 P35372 3/20 0.42
OPRK1 P41145 3/20 0.42
TRPM8 Q7Z2W7 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD1 P21728 1/20 0.40
ACE P12821 1/20 0.39
HHAT Q5VTY9 2/20 0.39

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
SCHEMBL8125615 1.00 MTNR1B (0.47) MTNR1BESR1ESR2OPRD1OPRM1
SCHEMBL7435390 1.00 MTNR1B (0.47) MTNR1BESR1ESR2OPRD1OPRM1
SCHEMBL8125915 0.81 MTNR1B (0.54) MTNR1BESR1ESR2OPRD1OPRM1
SCHEMBL8125910 0.81 MTNR1B (0.54) MTNR1BESR1ESR2OPRD1OPRM1
SCHEMBL8125912 0.81 MTNR1B (0.54) MTNR1BESR1ESR2OPRD1OPRM1
SCHEMBL7406598 0.81 MTNR1B (0.41) MTNR1BESR1ESR2MEN1KMT2A
SCHEMBL7406586 0.81 MTNR1B (0.41) MTNR1BESR1ESR2MEN1KMT2A
SCHEMBL7406593 0.81 MTNR1B (0.41) MTNR1BESR1ESR2MEN1KMT2A
SCHEMBL7368230 0.77 MTNR1B (0.50) MTNR1BESR1ESR2OPRD1TRPM8
SCHEMBL30878595 0.77 DRD1 (0.55) MTNR1BESR1ESR2TRPM8NPSR1

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
EP-0822934-B1 ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES PFIZER RES & DEV (IE) 2000-02-09 EP disclosed
US-5861393-A THROMBIN INHIBITORS; VASCULAR, CARDIOVASCULAR, NERVOUS SYSTEM AND BRAIN DISORDERS; ANTIISCHEMIC AND ANTIINFLAMMATORY AGENTS; RESTENOSIS PFIZER INC. (US) 1999-01-19 US disclosed
US-5798352-A Antithrombotic amidinotetrahydropyridylalanine derivatives PFIZER INC. (US) 1998-08-25 US disclosed
US-5750520-A SELECTIVE THROMBIN INHIBITORS; WOUND HEALING AGENTS PFIZER INC. (US) 1998-05-12 US disclosed
EP-0728132-B1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1997-07-16 EP disclosed
EP-0728132-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1996-08-28 EP disclosed
WO-1995013274-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LIMITED (GB) 1995-05-18 WO disclosed