SCHEMBL11069163

SCHEMBL11069163

CN1CCCCCCC1C1CCCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 1/20 0.46
▸ CYP1A2 P05177 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ CHRM2 P08172 2/20 0.39
▸ SLC18A3 Q16572 1/20 0.39
▸ DRD2 P14416 1/20 0.39

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
SCHEMBL17520885 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL17521190 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL5310242 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL23491287 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL509770 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL24914761 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL19343098 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
Hydrochloric Acid SCHEMBL11869519 0.98 L3MBTL3 (0.44) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL10948177 0.97 L3MBTL3 (0.47) L3MBTL3ALDH1A1L3MBTL1OPRM1OPRL1
SCHEMBL19343093 0.97 L3MBTL3 (0.47) L3MBTL3ALDH1A1L3MBTL1OPRM1OPRL1

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-4477451-A TREATMENT OF ULCERS BASF AKTIENGESELLSCHAFT (DE) 1984-10-16 — — US claimed
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