SCHEMBL14489796

SCHEMBL14489796

O=C(CCC(=O)N1CCSCC1)c1ccc2c(c1)CCNCC2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.64
ACHE P22303 1/20 0.48
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PARP1 P09874 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
MELK Q14680 1/20 0.38

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
SCHEMBL14489791 0.88 MCHR1 (0.66) MCHR1ACHECTNNB1WNT3AHTT
SCHEMBL14489799 0.85 MCHR1 (0.64) MCHR1ACHECTNNB1WNT3AHTT
SCHEMBL14489806 0.84 MCHR1 (0.72) MCHR1ACHECTNNB1WNT3AHTT
SCHEMBL14500218 0.83 MCHR1 (0.61) MCHR1ACHECTNNB1WNT3AHTT
SCHEMBL14489861 0.82 MCHR1 (0.60) MCHR1ACHECTNNB1WNT3AHTT
SCHEMBL14500565 0.82 MCHR1 (0.60) MCHR1ACHECTNNB1WNT3AHTT
SCHEMBL14489855 0.81 MCHR1 (0.59) MCHR1ACHECTNNB1WNT3ASMN1; SMN2
SCHEMBL14489793 0.81 MCHR1 (0.68) MCHR1ACHECTNNB1WNT3ASMN1; SMN2
SCHEMBL14489792 0.81 MCHR1 (0.59) MCHR1ACHECTNNB1WNT3ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5422955 0.81 MCHR1 (0.58) MCHR1ACHECTNNB1WNT3AHTT

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
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed