SCHEMBL8101593

SCHEMBL8101593

CC1CCNCC1.c1ccc(CC2CCNCC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.82
CCR3 P51677 2/20 0.46
SLC6A4 P31645 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ACHE P22303 1/20 0.43
CARM1 Q86X55 2/20 0.43
PRMT6 Q96LA8 2/20 0.43
PRMT3 O60678 1/20 0.42
PRMT1 Q99873 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL87612 0.91 GBA1 (1.00) GBA1CCR3SLC6A4CARM1PRMT6
Bromide SCHEMBL10728442 0.89 GBA1 (0.96) GBA1CCR3SLC6A4CARM1PRMT6
Hydrochloric Acid SCHEMBL4935892 0.89 GBA1 (0.96) GBA1CCR3SLC6A4CARM1PRMT6
SCHEMBL3765342 0.87 GBA1 (0.72) GBA1CCR3SLC6A4CARM1PRMT6
Ethylamine SCHEMBL3323945 0.86 GBA1 (0.82) GBA1CCR3SLC6A4CARM1PRMT6
Formaldehyde SCHEMBL28466516 0.85 GBA1 (0.89) GBA1CCR3SLC6A4CARM1PRMT6
SCHEMBL8891663 0.84 GBA1 (0.85) GBA1CCR3SLC6A4POLB
SCHEMBL1428015 0.84 GBA1 (0.85) GBA1CCR3SLC6A4
SCHEMBL20858759 0.83 GBA1 (0.66) GBA1CCR3SLC6A4POLB
SCHEMBL595263 0.83 GBA1 (0.59) GBA1CCR3ALDH1A1ACHECARM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed