SCHEMBL9670474

SCHEMBL9670474

C=CC[As](CCC)C1CCc2ccc3c(c2C1)CCN3

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
NOTUM Q6P988 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
SCHEMBL7587763 0.69 HTR1D (0.49) HTR1DHTR1B
SCHEMBL6581570 0.54 NOTUM (0.39) NOTUM
SCHEMBL17498090 0.53 GABRA1 (0.41) NOTUM
SCHEMBL21187595 0.52 GRIA1 (0.46) NOTUM
SCHEMBL8364082 0.52 NOTUM (0.43) NOTUM
SCHEMBL14035486 0.51 NOTUM (0.65) NOTUM
SCHEMBL22600390 0.51 NOTUM (0.42) NOTUM
SCHEMBL8526283 0.51 NOTUM (0.66) NOTUM
SCHEMBL19084229 0.50 NOTUM (0.38) NOTUM
SCHEMBL27771549 0.50 XDH (0.42)

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
EP-0510068-A1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS PHARMACIA & UPJOHN COMPANY (US) 1992-10-28 EP disclosed
WO-1991011435-A2 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS THE UPJOHN COMPANY (US) 1991-08-08 WO disclosed