SCHEMBL8575397

SCHEMBL8575397

C=Cc1cccc(CN(C)C)c1.C=Cc1ccccc1CN(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 3/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR7 P34969 1/20 0.34
NOS1 P29475 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL609108 0.82 TDP1 (0.46) TSHRALDH1A1BCHEACHETP53
SCHEMBL30456168 0.82 TP53 (0.48) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL610852 0.82 TP53 (0.48) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL997695 0.80 TSHR (0.46) TSHRALDH1A1BCHEACHETDP1
SCHEMBL8577448 0.77 TSHR (0.43) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL5014924 0.76 TP53 (0.41) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL9779067 0.76 KDM4E (0.49) TSHRALDH1A1BCHECYP1A2CYP2D6
SCHEMBL187720 0.75 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL11246054 0.75 ALDH1A1 (0.55) TSHRALDH1A1TP53
SCHEMBL15809482 0.74 TP53 (0.40) SLC6A2SLC6A4SLC6A3TSHRALDH1A1

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-5883210-A GELLING COMPOSITION FOR OIL FIELDS, WATER SOLUBLE POLYMER, CROSSLINKING AGENT FOR DRILLING FLUIDS PHILLIPS PETROLEUM COMPANY (US) 1999-03-16 US disclosed
US-5708107-A CATIONIC AMMONIUM POLYMERS FOR DRILLING FLUIDS IN OIL WELLS PHILLIPS PETROLEUM COMPANY (US) 1998-01-13 US disclosed