SCHEMBL9625968

SCHEMBL9625968

FC(F)Oc1ccc(CNC2CCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.57
▸ POLB P06746 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ CXCL12 P48061 1/20 0.44
▸ CXCR4 P61073 1/20 0.44

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
SCHEMBL23545659 0.93 HRH3 (0.50) HRH3POLBALDH1A1SMN1; SMN2
SCHEMBL10953965 0.78 HRH3 (0.88) HRH3POLBALDH1A1TSHRHDAC1
SCHEMBL5561161 0.78 ALDH1A1 (0.70) HRH3POLBALDH1A1TSHRSMN1; SMN2
SCHEMBL8808286 0.77 HRH3 (0.57) HRH3POLBALDH1A1TSHRHDAC1
SCHEMBL5074162 0.77 HDAC6 (0.52) POLBALDH1A1TSHRHDAC1SMN1; SMN2
SCHEMBL5561106 0.77 ALDH1A1 (0.68) HRH3POLBALDH1A1TSHRHDAC1
SCHEMBL8810030 0.76 HRH3 (0.60) HRH3POLBALDH1A1TSHRHDAC1
SCHEMBL2645047 0.75 HRH3 (0.69) HRH3POLBALDH1A1HDAC1CXCL12
SCHEMBL8494718 0.75 HRH3 (0.59) HRH3POLBALDH1A1TSHRSMN1; SMN2
SCHEMBL30471885 0.75 PABPC1 (0.42) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116838-A GUANIDINE DERIVATIVES AND FUNGICIDES FOR AGRICULTURE AND HORTICULTURE CONTAINING THE SAME HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 1992-05-26 — — US disclosed
EP-0429281-A2 Guanidine derivatives and fungicides for agriculture and horticulture containing the same HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1991-05-29 — — EP disclosed
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