SCHEMBL21708176

SCHEMBL21708176

CCCC1CC(=O)N(CCn2c(C(CC)CC)nc3ccc(OC)cc32)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ MTNR1A P48039 9/20 0.37
▸ MTNR1B P49286 9/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ BRD4 O60885 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ ACSS2 Q9NR19 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL661146 0.92 S1PR1 (0.37) HSD17B10MTNR1AMTNR1BS1PR1PIK3CD
SCHEMBL662088 0.83 S1PR1 (0.40) HSD17B10MTNR1AMTNR1BS1PR1PIK3CD
SCHEMBL21708174 0.80 S1PR1 (0.37) HSD17B10MTNR1AMTNR1BS1PR1PIK3CD
SCHEMBL1666066 0.79 MTNR1A (0.37) MTNR1AMTNR1BS1PR1BRD4ACSS2
SCHEMBL30361134 0.78 PPARG (0.39) MTNR1AMTNR1BACSS2
SCHEMBL661457 0.78 PPARG (0.39) MTNR1AMTNR1BACSS2
SCHEMBL661964 0.77 TP53 (0.39) HSD17B10MTNR1AMTNR1BBRD4TP53
SCHEMBL4416615 0.75 BRD4 (0.37) MTNR1AMTNR1BBRD4TP53POLB
SCHEMBL4406363 0.75 BRD4 (0.37) MTNR1AMTNR1BBRD4TP53
SCHEMBL4408527 0.75 MTNR1A (0.37) MTNR1AMTNR1BBRD4TP53ACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3610890-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA The Johns Hopkins University (US) 2020-02-19 — — EP disclosed
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