Sugi Predict

Sugi Predict / Compounds / SCHEMBL8040536

SCHEMBL8040536

SCHEMBL8040536

CN(C)CCC(N)C(N)CCCN

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CHRM2 P08172 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR2A P28223 1/20 0.31
▸ HRH1 P35367 1/20 0.31

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
SCHEMBL8663135 0.91 CHRM2 (0.44) TDP1CYP2C9CYP2C19CHRM2ALDH1A1
SCHEMBL8371428 0.85 CYP2C9 (0.37) TDP1CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL8040540 0.81 TDP1 (0.41) TDP1CYP2C9CYP2C19CHRM2ALDH1A1
SCHEMBL9903439 0.81 TDP1 (0.41) TDP1CYP2C9CYP2C19CHRM2ALDH1A1
SCHEMBL771021 0.79 NFKB1 (0.43) TSHRHTR2AHRH1
SCHEMBL2162581 0.73 NFKB1 (0.38) TSHRHTR2AHRH1
SCHEMBL6913705 0.73 NFKB1 (0.47) TSHRHTR2AHRH1
SCHEMBL6880774 0.73 CHRM2 (0.44) TDP1CYP2C9CYP2C19CHRM2ALDH1A1
SCHEMBL10520849 0.72 HTR2A (0.39) TDP1ALDH1A1TSHRHTR2AHRH1
SCHEMBL10421630 0.72 HTR2A (0.34) TDP1ALDH1A1TSHRHTR2AHRH1

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-1033471-A1 Improved recovery and transportation of heavy crude oils ROHM AND HAAS COMPANY (US) 2000-09-06 — — EP disclosed