SCHEMBL25230830

SCHEMBL25230830

CCCNCC(O)c1cnccc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.39
ADRB1 P08588 11/20 0.38
ADRB3 P13945 9/20 0.38
ADRB2 P07550 8/20 0.38
LIMK1 P53667 1/20 0.37
KDM6B O15054 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
RPS6KA3 P51812 1/20 0.35
KCNH2 Q12809 1/20 0.33

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
SCHEMBL25225106 0.84 ABCB1 (0.37) ABCB1ADRB1ADRB3ADRB2LIMK1
SCHEMBL25273298 0.80 ADRB1 (0.43) ABCB1ADRB1ADRB3ADRB2
SCHEMBL25227584 0.78 OPRL1 (0.37) ABCB1ADRB1ADRB3ADRB2KDM6B
SCHEMBL25224702 0.74 RPS6KA3 (0.40) KDM6BKDM4CRPS6KA3KCNH2
SCHEMBL25229181 0.73 ADRB1 (0.57) ADRB1ADRB3ADRB2
SCHEMBL30488093 0.73 ADRB1 (0.57) ADRB1ADRB3ADRB2
SCHEMBL30488191 0.73 ADRB1 (0.57) ADRB1ADRB3ADRB2
SCHEMBL25226428 0.73 ADRB1 (0.57) ADRB1ADRB3ADRB2
SCHEMBL4053207 0.73 ADRB1 (0.57) ADRB1ADRB3ADRB2
SCHEMBL30488096 0.73 ADRB1 (0.57) ADRB1ADRB3ADRB2

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
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed