SCHEMBL11076192

SCHEMBL11076192

O=C(c1ccccc1C(F)(F)F)N1CCN(c2cnccn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.63
SLC6A7 Q99884 1/20 0.59
GBA1 P04062 1/20 0.55
RBP4 P02753 1/20 0.52
DCTPP1 Q9H773 1/20 0.52

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
SCHEMBL3411182 0.86 ALDH1A1 (0.67) SCDGBA1
SCHEMBL14143825 0.86 SCD (0.55) SCDSLC6A7GBA1
SCHEMBL27651267 0.82 SCD (0.61) SCDGBA1RBP4
SCHEMBL14130914 0.82 SCD (0.51) SCDGBA1
SCHEMBL1822110 0.81 SCD (0.63) SCDGBA1DCTPP1
SCHEMBL937373 0.80 SCD (0.72) SCDDCTPP1
SCHEMBL1094784 0.80 SCD (0.61) SCDGBA1DCTPP1
SCHEMBL3826357 0.80 SCD (0.61) SCDGBA1DCTPP1
SCHEMBL2007249 0.80 SCD (0.61) SCDSLC6A7GBA1DCTPP1
SCHEMBL3677226 0.79 SCD (0.71) SCDGBA1DCTPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4439606-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-27 US claimed
US-4439606-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-27 US disclosed
EP-0094498-A2 Antiatherosclerotic 1-piperazine derivatives AMERICAN CYANAMID COMPANY (US) 1983-11-23 EP disclosed