SCHEMBL8695947

SCHEMBL8695947

CC(C(=O)O)(c1ccccc1)N1CCNCC1Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 7/20 0.40
▸ SLC6A3 Q01959 7/20 0.40
▸ SLC6A2 P23975 6/20 0.40
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ MITF O75030 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ CHIT1 Q13231 2/20 0.36
▸ CHIA Q9BZP6 2/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.35
▸ SSTR4 P31391 1/20 0.35

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
SCHEMBL8690759 0.97 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL8692756 0.77 CCNC (0.34) —
Hydrochloric Acid SCHEMBL8693832 0.77 CCNC (0.34) —
SCHEMBL8698603 0.76 CHIT1 (0.37) SLC6A4SLC6A3SLC6A2CHIT1CHIA
SCHEMBL3424270 0.72 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL2116076 0.72 TDP1 (0.44) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL8691089 0.71 SLC6A2 (0.38) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL8691086 0.71 MEN1 (0.40) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL5695787 0.70 CHIT1 (0.41) SLC6A4SLC6A3SLC6A2CHIT1CHIA
SCHEMBL5359873 0.70 PARP1 (0.55) CA1CA2CA4CA9CHIT1

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-5789409-A ANTIINFLAMMATORY AGENTS SENJU PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 — — US claimed
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