SCHEMBL9625977

SCHEMBL9625977

Cc1ccc(N=C(N(Cc2ccccc2)C2CCCCC2)N(Cc2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGER Q15109 3/20 0.47
▸ MTNR1A P48039 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ G6PC1 P35575 1/20 0.42
▸ OPRM1 P35372 3/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ UBE2M P61081 1/20 0.39
▸ DCUN1D1 Q96GG9 1/20 0.39
▸ SLC18A3 Q16572 1/20 0.39
▸ LTB4R2 Q9NPC1 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL9625452 0.74 SMN1; SMN2 (0.44) AGERMTNR1AALDH1A1KMT2ASMN1; SMN2
SCHEMBL2814615 0.74 AGER (0.67) AGERMTNR1AL3MBTL1G6PC1OPRM1
SCHEMBL9057640 0.72 CYP2C19 (0.53) G6PC1MAPK1CCR5KCNH2SLC18A3
SCHEMBL11441244 0.70 MAPT (0.51) UBE2MDCUN1D1CYP2C19MEN1ALDH1A1
SCHEMBL9456418 0.70 AGER (0.58) AGERMTNR1AL3MBTL1OPRM1MAPK1
SCHEMBL14373102 0.69 ATM (0.50) CYP2C19MEN1ALDH1A1KMT2AUSP2
SCHEMBL23175993 0.68 AGER (0.63) AGERMTNR1AL3MBTL1OPRM1MAPK1
SCHEMBL22448034 0.68 AGER (0.49) AGERMTNR1AL3MBTL1G6PC1OPRM1
SCHEMBL29057240 0.68 AGER (0.46) AGERMTNR1AL3MBTL1G6PC1OPRM1
SCHEMBL7603670 0.67 HRH3 (0.73) AGERG6PC1MAPK1SLC18A3ALDH1A1

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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