SCHEMBL10119811

SCHEMBL10119811

CCc1ccc2c(c1)c(CCNCC1CCNCC1)cn2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.48
▸ ADRB2 P07550 3/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ HASPIN Q8TF76 4/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ SPR P35270 1/20 0.38

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
SCHEMBL8270017 0.86 SLC6A4 (0.49) SLC6A4ADRB2PRMT5WDR77HASPIN
SCHEMBL8271529 0.84 MTNR1A (0.58) SLC6A4ADRB2NQO2MTNR1AMTNR1B
SCHEMBL8270044 0.83 SLC6A4 (0.70) SLC6A4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8270943 0.77 MTNR1A (0.47) SLC6A4ADRB2NQO2MTNR1AMTNR1B
SCHEMBL8238737 0.76 PRMT5 (0.39) SLC6A4ADRB2PRMT5WDR77GNAI3
SCHEMBL10119818 0.75 SLC6A4 (0.46) SLC6A4PRMT5WDR77HASPINHDAC3
SCHEMBL1971588 0.74 SLC6A4 (0.55) SLC6A4HDAC3HDAC4HDAC1HDAC7
SCHEMBL10119845 0.72 SLC6A4 (0.52) SLC6A4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8270041 0.72 SLC6A4 (0.43) SLC6A4PRMT5WDR77HASPINHDAC3
SCHEMBL23917680 0.71 MAPT (0.49) ADRB2NQO2MTNR1AMTNR1BSPR

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
EP-1781639-B1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2012-01-25 — — EP disclosed
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