Sugi Predict

Sugi Predict / Compounds / SCHEMBL9764630

SCHEMBL9764630

SCHEMBL9764630

CN1CCC(c2cn(C)c3ccc(Br)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 15/20 0.53
▸ SLC6A4 P31645 2/20 0.53
▸ HTR6 P50406 2/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ HTR1B P28222 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL12127458 0.88 DRD2 (0.56) DRD2SLC6A4HTR6HTR1B
SCHEMBL17316588 0.88 DRD2 (0.49) DRD2SLC6A4GSK3BRORC
SCHEMBL12127887 0.87 DRD2 (0.48) DRD2SLC6A4GSK3BRORC
SCHEMBL21088053 0.84 APP (0.50) DRD2SLC6A4HTR6GSK3B
SCHEMBL3352752 0.82 HTR1B (0.57) DRD2SLC6A4HTR6HTR1BRORC
SCHEMBL5367428 0.82 CYP1A2 (0.57) DRD2SLC6A4HTR6HTR1BRORC
SCHEMBL6642794 0.80 DRD2 (0.43) DRD2SLC6A4HTR6HTR1BHTR2A
SCHEMBL7645406 0.80 DRD2 (0.57) DRD2SLC6A4HTR6HTR1BRORC
SCHEMBL12127417 0.78 SCN9A (0.57) DRD2SLC6A4RORC
Oxalic Acid SCHEMBL27544244 0.77 MAPT (0.52) DRD2SLC6A4HTR6RORC

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-5066660-A INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-11-19 — — US disclosed
EP-0303506-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 — — EP disclosed