SCHEMBL7305170

SCHEMBL7305170

NCC(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.44
HTR2A P28223 1/20 0.44
LTA4H P09960 2/20 0.39
TSHR P16473 1/20 0.39
SCN4A P35499 2/20 0.39
PLA2G2A P14555 1/20 0.39
AOC3 Q16853 1/20 0.39
KCNA3 P22001 1/20 0.39
SLC6A4 P31645 1/20 0.37

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
SCHEMBL963521 0.87 CA4 (0.41) TAAR1HTR2ALTA4HSLC6A4
Hydrochloric Acid SCHEMBL29278092 0.85 CA4 (0.39) TAAR1HTR2ASLC6A4
SCHEMBL29138031 0.83 LTA4H (0.38) TAAR1HTR2ALTA4HSLC6A4
SCHEMBL11515377 0.80 TAAR1 (0.44) TAAR1HTR2ALTA4HTSHRSCN4A
SCHEMBL29138026 0.79 SLC6A4 (0.41) TAAR1TSHRSLC6A4
SCHEMBL30309249 0.78 HRH1 (0.52) TAAR1HTR2ALTA4HPLA2G2ASLC6A4
SCHEMBL17459935 0.76 TAAR1 (0.41) TAAR1HTR2ALTA4HSCN4APLA2G2A
SCHEMBL6482154 0.76 TAAR1 (0.41) TAAR1HTR2ALTA4HTSHRSCN4A
SCHEMBL3160069 0.76 MTNR1A (0.50) TAAR1HTR2ALTA4HSLC6A4
SCHEMBL8694787 0.76 LMNA (0.42) TAAR1HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931788-B1 Metalloprotease inhibitors PFIZER LTD (GB) 2002-11-06 EP disclosed
US-6090852-A MATRIX METALLOPROTEASE INHIBITOR PFIZER INC (US) 2000-07-18 US disclosed
EP-0931788-A2 Metalloprotease inhibitors Pfizer Limited (GB) 1999-07-28 EP disclosed
EP-0226475-A1 Diphenoxyethyl amine derivatives, process for their preparation and pharmaceutical compositions containing them Albert ROLLAND S.A. Société dite (FR) 1987-06-24 EP disclosed
EP-0226475-A1 Diphenoxyethyl amine derivatives, process for their preparation and pharmaceutical compositions containing them Albert ROLLAND S.A. Société dite (FR) 1987-06-24 EP disclosed
EP-0226475-A1 Diphenoxyethyl amine derivatives, process for their preparation and pharmaceutical compositions containing them Albert ROLLAND S.A. Société dite (FR) 1987-06-24 EP disclosed