SCHEMBL7212705

SCHEMBL7212705

O=C(c1ccc2c(c1)CCO2)N1Cc2cccnc2Nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 19/20 0.55
AVPR2 P30518 1/20 0.51

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
SCHEMBL7217742 0.87 IDH1 (0.57) IDH1AVPR2
SCHEMBL7217651 0.80 IDH1 (0.56) IDH1AVPR2
SCHEMBL4150867 0.79 IDH1 (0.62) IDH1AVPR2
SCHEMBL7216327 0.77 IDH1 (0.54) IDH1
SCHEMBL7212075 0.77 IDH1 (0.59) IDH1AVPR2
SCHEMBL27486147 0.76 IDH1 (0.73) IDH1
SCHEMBL7211695 0.76 AVPR2 (0.54) IDH1AVPR2
SCHEMBL5111295 0.74 IDH1 (0.68) IDH1
SCHEMBL7949083 0.73 AVPR2 (0.65) IDH1AVPR2
SCHEMBL7325709 0.72 AVPR2 (0.70) IDH1AVPR2

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-6620807-B1 Temporary delay of urination for treatment of diabetes, urinary incontinence, bleeding or coagulation disorders WYETH 2003-09-16 US claimed
US-6620807-B1 Temporary delay of urination for treatment of diabetes, urinary incontinence, bleeding or coagulation disorders WYETH 2003-09-16 US disclosed