SCHEMBL11066992

SCHEMBL11066992

O=C1CCc2c(OCC(O)CN3CCC(O)(c4ccccc4)CC3)cccc2N1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 17/20 0.56
OPRL1 P41146 1/20 0.44
POLB P06746 1/20 0.43
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL11073298 0.86 ABCB1 (0.61) ABCB1SCN1ASCN5ASCN9A
SCHEMBL11070828 0.85 OPRL1 (0.47) OPRL1POLB
SCHEMBL10570390 0.85 MAPT (0.56) ABCB1SCN1ASCN5ASCN9A
Hydrochloric Acid SCHEMBL10570172 0.84 MAPT (0.55) ABCB1SCN1ASCN5ASCN9A
SCHEMBL11061136 0.83 KCNH2 (0.56) ABCB1SCN1ASCN5ASCN9A
SCHEMBL11065039 0.83 DRD4 (0.60) ABCB1
SCHEMBL11729211 0.83 HTR6 (0.48) ABCB1POLB
Oxalic Acid SCHEMBL11071627 0.81 ABCB1 (0.58) ABCB1
SCHEMBL11067274 0.80 ABCB1 (0.48) ABCB1
SCHEMBL11066891 0.76 ABCB1 (0.61) ABCB1

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-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed