SCHEMBL11587798

SCHEMBL11587798

CC(CCCl)CCc1cccc2cc3c(CCC(C)CCCl)cccc3cc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 8/20 0.35
▸ NQO2 P16083 2/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ MTNR1B P49286 5/20 0.34
▸ SIGMAR1 Q99720 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ SLC18A2 Q05940 1/20 0.31

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
SCHEMBL11587389 0.78 MTNR1A (0.40) MTNR1ANQO2SLC6A2SLC6A4SLC6A3
SCHEMBL6661250 0.74 AKR1B1 (0.34) MTNR1ANQO2HTR2AMTNR1BSIGMAR1
SCHEMBL11586285 0.74 OPRK1 (0.36) NQO2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL11881368 0.73 L3MBTL1 (0.45) MTNR1ANQO2HTR2AMTNR1BL3MBTL1
SCHEMBL31274181 0.73 L3MBTL1 (0.45) MTNR1ANQO2HTR2AMTNR1BL3MBTL1
SCHEMBL11588676 0.72 MTNR1A (0.39) MTNR1AMTNR1BL3MBTL1
SCHEMBL11882341 0.70 L3MBTL1 (0.42) MTNR1ANQO2HTR2AMTNR1BL3MBTL1
SCHEMBL5252569 0.69 TDP1 (0.46) MTNR1ANQO2SIGMAR1SLC18A2
SCHEMBL11417146 0.69 L3MBTL1 (0.41) MTNR1AHTR2AMTNR1BSIGMAR1L3MBTL1
SCHEMBL11587793 0.69 ALDH1A1 (0.41) MTNR1A

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
US-4108896-A VIRICIDES RICHARDSON-MERRELL INC. (US) 1978-08-22 — — US disclosed
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