SCHEMBL5403778

SCHEMBL5403778

CCCCCOC(N)(N)CCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.37
CA2 P00918 9/20 0.37
CA9 Q16790 8/20 0.37
CA12 O43570 3/20 0.35
CA7 P43166 3/20 0.35
CA14 Q9ULX7 3/20 0.35
FDPS P14324 3/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
DNM1 Q05193 1/20 0.34
SMPD1 P17405 4/20 0.34
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2587280 0.93 SMPD1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL10620537 0.93 SMPD1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL2577447 0.93 SMPD1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL2583075 0.93 SMPD1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL2574889 0.93 SMPD1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL2587271 0.93 SMPD1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL6610038 0.83 CA1 (0.38) CA1CA2CA9CA12CA7
Acetic Acid SCHEMBL9751129 0.82 CES2 (0.43) FDPSSMPD1
SCHEMBL11784627 0.77 MEN1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL5586422 0.76 FDPS (0.39) CA1CA2CA9CA12CA7

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
WO-2007099423-A1 1-PYRROLIDINE INDANE DERIVATIVES AS HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-09-07 WO disclosed
EP-0675915-B1 PHOTODEFINABLE OPTICAL WAVEGUIDES AMOCO CORP (US) 1998-02-25 EP disclosed
EP-0675915-A1 PHOTODEFINABLE OPTICAL WAVEGUIDES AMOCO CORPORATION (US) 1995-10-11 EP disclosed
US-5449742-A Optical waveguides with cores AMOCO CORPORATION (US) 1995-09-12 US disclosed
WO-1994014874-A1 PHOTODEFINABLE OPTICAL WAVEGUIDES AMOCO CORPORATION (US) 1994-07-07 WO disclosed
US-5317082-A Polyimides AMOCO CORPORATION (US) 1994-05-31 US disclosed