SCHEMBL16814930

SCHEMBL16814930

NCc1ccccc1N1CCC(N2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 13/20 0.54
▸ L3MBTL3 Q96JM7 12/20 0.54
▸ MBTD1 Q05BQ5 3/20 0.54
▸ NCF1 P14598 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PDCD1 Q15116 1/20 0.45
▸ CD274 Q9NZQ7 1/20 0.45
▸ KDM1A O60341 1/20 0.44
▸ TP53BP1 Q12888 3/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL111729 0.83 NCF1 (0.72) L3MBTL1NCF1ALDH1A1HRH3
SCHEMBL110730 0.81 NCF1 (0.70) L3MBTL1NCF1ALDH1A1HRH3
SCHEMBL16814951 0.81 NCF1 (0.70) L3MBTL1NCF1ALDH1A1HRH3
SCHEMBL28753504 0.80 NCF1 (0.55) NCF1ALDH1A1TSHR
SCHEMBL16814882 0.79 NCF1 (0.77) L3MBTL1NCF1ALDH1A1
SCHEMBL27834649 0.79 NCF1 (0.71) NCF1ALDH1A1
SCHEMBL24018758 0.79 MEN1 (0.62) NCF1ALDH1A1TSHR
SCHEMBL16814993 0.79 NCF1 (0.54) NCF1ALDH1A1
SCHEMBL14207191 0.79 KEAP1 (0.65) L3MBTL1L3MBTL3MBTD1ALDH1A1TSHR
SCHEMBL27665916 0.79 NCF1 (0.54) NCF1ALDH1A1

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
WO-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 — — WO disclosed
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