SCHEMBL8577448

SCHEMBL8577448

C=Cc1cccc(CN(C)C)c1.C=Cc1cccc(CN(CCC)CCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
BCHE P06276 4/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CALM1 P0DP23 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
NOS1 P29475 1/20 0.37
ACHE P22303 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

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
SCHEMBL608707 0.94 TSHR (0.47) TSHRHSD17B10BCHEHRH3CALM1
SCHEMBL14732594 0.88 BCHE (0.42) TSHRHSD17B10BCHEHRH3TP53
SCHEMBL610852 0.87 TP53 (0.48) TSHRHRH3TP53TDP1ALDH1A1
SCHEMBL30456168 0.87 TP53 (0.48) TSHRHRH3TP53TDP1ALDH1A1
SCHEMBL609813 0.85 BCHE (0.49) TSHRHSD17B10BCHETP53TDP1
SCHEMBL19088852 0.82 BCHE (0.46) TSHRHSD17B10BCHETP53TDP1
SCHEMBL609108 0.81 TDP1 (0.46) TSHRBCHEHRH3TP53TDP1
SCHEMBL610802 0.80 DRD2 (0.59) TSHRHSD17B10DRD2DRD3DRD1
SCHEMBL6405794 0.78 TSHR (0.47) TSHRHSD17B10BCHEHRH3DRD2
SCHEMBL5270574 0.78 TSHR (0.47) TSHRHSD17B10TP53TDP1ALDH1A1

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