SCHEMBL8100042

SCHEMBL8100042

CCCC(c1ccc(N)cc1)c1ccc(CCCCc2ccc(C(CCC)c3ccc(N)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.55
▸ HTR2A P28223 2/20 0.53
▸ GFER P55789 1/20 0.45
▸ MAOA P21397 2/20 0.44
▸ S1PR2 O95136 2/20 0.42
▸ S1PR1 P21453 2/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ S1PR3 Q99500 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SIGMAR1 Q99720 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
SCHEMBL8095637 0.98 HTR2A (0.55) MAOBHTR2AGFERMAOAS1PR2
SCHEMBL8094689 0.98 HTR2A (0.55) MAOBHTR2AGFERMAOAS1PR2
SCHEMBL8085419 0.98 HTR2A (0.55) MAOBHTR2AGFERMAOAS1PR2
SCHEMBL8094875 0.98 HTR2A (0.55) MAOBHTR2AGFERMAOAS1PR2
SCHEMBL8102377 0.98 HTR2A (0.55) MAOBHTR2AGFERMAOAS1PR2
SCHEMBL8093501 0.98 HTR2A (0.55) MAOBHTR2AGFERMAOAS1PR2
SCHEMBL8094877 0.98 HTR2A (0.55) MAOBHTR2AGFERMAOAS1PR2
SCHEMBL8094434 0.98 HTR2A (0.55) MAOBHTR2AGFERMAOAS1PR2
SCHEMBL8093925 0.98 HTR2A (0.55) MAOBHTR2AGFERMAOAS1PR2
SCHEMBL8100950 0.98 HTR2A (0.55) MAOBHTR2AGFERMAOAS1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 — — EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 — — US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 — — EP disclosed
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