SCHEMBL7700515

SCHEMBL7700515

CCOC(=O)CN(C)CC1CCc2cc(C(F)(F)F)ccc2C1c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.49
KCNN4 O15554 1/20 0.41
FFAR1 O14842 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
RORC P51449 6/20 0.38
TACR1 P25103 3/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
SRD5A1 P18405 1/20 0.35
POLQ O75417 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL7698703 0.88 SLC6A9 (0.59) SLC6A9FFAR1TACR1PPARDPPARA
SCHEMBL7700589 0.86 SLC6A9 (0.62) SLC6A9TACR1
Lithium Ion SCHEMBL7702956 0.86 SLC6A9 (0.49) SLC6A9FFAR1RORCTACR1SRD5A1
SCHEMBL7700588 0.86 SLC6A9 (0.62) SLC6A9TACR1
SCHEMBL1761236 0.80 SLC6A9 (0.70) SLC6A9FFAR1TACR1PPARDPPARA
SCHEMBL7700569 0.77 SLC6A9 (0.81) SLC6A9PPARD
SCHEMBL7704407 0.77 SLC6A9 (0.60) SLC6A9FFAR1TACR1
Lithium Ion SCHEMBL7702768 0.77 SLC6A9 (0.60) SLC6A9FFAR1TACR1PPARDPPARA
Lithium Ion SCHEMBL7698371 0.76 SLC6A9 (0.53) SLC6A9SRD5A1
Lithium Ion SCHEMBL7705019 0.76 SLC6A9 (0.56) SLC6A9PPARDPPARA

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-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US disclosed