SCHEMBL8318404

SCHEMBL8318404

Cc1ccc(-c2ccccc2C(=O)Nc2c(C)cc(C)c(N3Cc4ccccc4C3)c2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
NAMPT P43490 1/20 0.38
AVPR2 P30518 6/20 0.37
AVPR1A P37288 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL533119 0.89 MTTP (0.48) LMNAALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL532902 0.88 L3MBTL1 (0.43) L3MBTL1LMNAALDH1A1NPSR1CHRNB2
SCHEMBL8320252 0.82 ALDH1A1 (0.46) L3MBTL1LMNAALDH1A1HTTCHRNB2
SCHEMBL532826 0.81 ALDH1A1 (0.47) L3MBTL1LMNAALDH1A1HTTNPSR1
SCHEMBL532809 0.81 ALDH1A1 (0.46) L3MBTL1LMNAALDH1A1HTTNPSR1
SCHEMBL5111860 0.80 MTTP (0.40) ALDH1A1NAMPTKMT2A
SCHEMBL533307 0.80 F10 (0.43) L3MBTL1LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL533138 0.79 NPC1 (0.46) L3MBTL1LMNAALDH1A1CHRNB2CHRNB4
SCHEMBL532940 0.78 GAA (0.50) L3MBTL1LMNAALDH1A1HTTTAS1R3
SCHEMBL533536 0.78 L3MBTL1 (0.49) L3MBTL1LMNAALDH1A1NPSR1SMN1; SMN2

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-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 WO disclosed