SCHEMBL18744076

SCHEMBL18744076

CC(C)CN1CCCC(c2ccncc2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD5 P21918 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ TP53 P04637 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ CYP2D6 P10635 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL23374534 0.84 DRD2 (0.65) DRD2DRD1DRD4DRD5DRD3
SCHEMBL23374714 0.84 DRD2 (0.65) DRD2DRD1DRD4DRD5DRD3
SCHEMBL18745412 0.83 CYP11B2 (0.56) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16410879 0.83 DRD2 (0.54) DRD2DRD1DRD4DRD5DRD3
SCHEMBL17779211 0.80 DRD2 (0.72) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8389997 0.79 DRD2 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL17774400 0.79 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL20611963 0.76 LSS (0.50) DRD2DRD1DRD4DRD5DRD3
SCHEMBL23374659 0.74 SLC18A3 (0.56) DRD2DRD1DRD4DRD5DRD3
SCHEMBL12447397 0.74 SLC18A3 (0.56) DRD2DRD1DRD4DRD5DRD3

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
US-9624211-B2 Anti-cancer compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-18 — — US disclosed
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