SCHEMBL5011785

SCHEMBL5011785

CCN(CC)c1ccc(C)c(C(c2cc(NCCCc3ccccc3)ccc2C)c2cc(NCCCc3ccccc3)ccc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
CNR2 P34972 3/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
KCNH2 Q12809 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TUBB4A P04350 1/20 0.37

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
SCHEMBL5011819 0.92 CNR2 (0.45) PIK3CDCNR2HDAC6HDAC1HDAC8
SCHEMBL5011778 0.88 HTT (0.40) PIK3CDCNR2HDAC6HDAC1HDAC8
SCHEMBL5011812 0.83 CNR2 (0.42) PIK3CDCNR2HDAC6HDAC1HDAC8
SCHEMBL5011926 0.83 ALDH1A1 (0.44) PIK3CDCNR2HDAC6HDAC1HDAC8
SCHEMBL5009576 0.81 POLB (0.42) PIK3CDHDAC6HDAC1HDAC8TUBB4A
SCHEMBL5668005 0.80 PIK3CD (0.41) PIK3CDHDAC6HDAC1HDAC8TUBB4A
SCHEMBL5011845 0.79 CNR2 (0.49) CNR2NPY1RNPY2RKCNH2CHRM2
SCHEMBL81552 0.76 S100B (0.53) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL5010109 0.76 LMNA (0.47) CNR2MEN1KMT2ANPC1RAB9A
SCHEMBL237533 0.74 S100B (0.45) CNR2MEN1KMT2ANPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311524-A1 Method For Making Negative-Working Heat-Sensitive Lithographic Printing Plate Precursor AGFA GRAPHICS N.V. (BE) 2008-12-18 US disclosed
US-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 US disclosed