SCHEMBL8810061

SCHEMBL8810061

Cc1c[nH]nc1-c1ccc(CNC2CCCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.59
▸ PARP1 P09874 4/20 0.49
▸ POLB P06746 1/20 0.46
▸ CXCR4 P61073 2/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CXCL12 P48061 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL8809953 0.85 PARP1 (0.53) HRH3PARP1POLBCXCR4ALDH1A1
SCHEMBL8808736 0.82 HRH3 (0.59) HRH3PARP1POLBCXCR4HDAC1
SCHEMBL8807968 0.75 HRH3 (0.83) HRH3POLBCXCR4HDAC1MEN1
SCHEMBL10953965 0.74 HRH3 (0.88) HRH3POLBCXCR4HDAC1MEN1
SCHEMBL8808822 0.74 HRH3 (0.64) HRH3PARP1POLBCXCR4HDAC1
SCHEMBL8811299 0.74 HRH3 (0.59) HRH3PARP1POLBCXCR4HDAC1
SCHEMBL5864236 0.73 HRH3 (0.72) HRH3POLBCXCR4HDAC1RAB9A
SCHEMBL8815392 0.73 HRH3 (0.62) HRH3PARP1POLBCXCR4HDAC1
SCHEMBL9059227 0.72 HRH3 (0.60) HRH3PARP1POLBCXCR4HDAC1
SCHEMBL11434269 0.71 HRH3 (0.69) HRH3POLBCXCR4HDAC1MEN1

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 — — EP disclosed
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