SCHEMBL9801301

SCHEMBL9801301

CCC1CNCCN1CCCO

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
MITF O75030 1/20 0.31
APAF1 O14727 1/20 0.30
IDE P14735 1/20 0.30

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
SCHEMBL9559747 0.89 TAAR1 (0.37) TAAR1TDP1L3MBTL1CA1CA2
SCHEMBL3106323 0.86 TAAR1 (0.46) TAAR1MITF
SCHEMBL3106189 0.84 TAAR1 (0.45) TAAR1
SCHEMBL2638396 0.84 TAAR1 (0.42) TAAR1TDP1L3MBTL1CA1CA2
SCHEMBL3110597 0.83 TAAR1 (0.43) TAAR1TDP1L3MBTL1MITFAPAF1
SCHEMBL24533119 0.83 TAAR1 (0.44) TAAR1
SCHEMBL9801554 0.83 TAAR1 (0.39) TAAR1MITFAPAF1IDE
SCHEMBL28180032 0.83 TAAR1 (0.44) TAAR1
SCHEMBL3106291 0.83 TAAR1 (0.44) TAAR1
Hydrochloric Acid SCHEMBL28058920 0.82 TAAR1 (0.42) TAAR1TDP1L3MBTL1MITFAPAF1

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
CN-106178838-A A kind of compound piperazines organic amine desulfurizer 合肥工业大学 2016-12-07 CN claimed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed