SCHEMBL20079259

SCHEMBL20079259

CNCCN(C)C1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.50
PRMT1 Q99873 3/20 0.39
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL12478430 0.85
SCHEMBL12478238 0.83 PRMT1 (0.46) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL8334637 0.81 PRMT1 (0.44) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL21386236 0.81 PIK3CD (0.47) PIK3CDNPC1RAB9AALDH1A1
SCHEMBL18233621 0.79 PIK3CD (0.55) PIK3CDNPC1RAB9A
SCHEMBL19402495 0.79 PRMT3 (0.42) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL2002550 0.79 PRMT1 (0.42) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL24951687 0.78 PIK3CD (0.44) PIK3CDNPC1RAB9A
SCHEMBL13744550 0.78 CARM1 (0.41) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL13136119 0.77 PIK3CD (0.43) PIK3CDALDH1A1

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
WO-2021154669-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 WO disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed