SCHEMBL8094024

SCHEMBL8094024

CCCc1cc(CCCCc2ccc(Cc3ccc(N)cc3)c(CCC)c2)ccc1Cc1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SKP2 Q13309 1/20 0.41
HTR2A P28223 1/20 0.41
GFER P55789 1/20 0.38
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
CYP19A1 P11511 1/20 0.37

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
SCHEMBL8096015 0.98 HTR2A (0.43) MAOBALDH1A1CYP3A4TSHRTDP1
SCHEMBL8101766 0.98 HTR2A (0.43) MAOBALDH1A1CYP3A4TSHRTDP1
SCHEMBL8085641 0.98 HTR2A (0.43) MAOBALDH1A1CYP3A4TSHRTDP1
SCHEMBL8094080 0.98 HTR2A (0.43) MAOBALDH1A1CYP3A4TSHRTDP1
SCHEMBL8094168 0.98 HTR2A (0.43) MAOBALDH1A1CYP3A4TSHRTDP1
SCHEMBL8094667 0.98 HTR2A (0.43) MAOBALDH1A1CYP3A4TSHRTDP1
SCHEMBL8094045 0.98 HTR2A (0.43) MAOBALDH1A1CYP3A4TSHRTDP1
SCHEMBL8087120 0.98 HTR2A (0.43) MAOBALDH1A1CYP3A4TSHRTDP1
SCHEMBL8095444 0.98 HTR2A (0.43) MAOBALDH1A1CYP3A4TSHRTDP1
SCHEMBL8095817 0.98 HTR2A (0.43) MAOBALDH1A1CYP3A4TSHRTDP1

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