SCHEMBL3247716

SCHEMBL3247716

O=C(c1ccc2c(c1)CNCC2)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 1/20 0.52
▸ PNMT P11086 7/20 0.47
▸ ADRA2A P08913 3/20 0.47
▸ ADRA2B P18089 2/20 0.47
▸ ADRA2C P18825 2/20 0.47

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
SCHEMBL1026913 0.80 ALDH1A1 (0.59) MELKPNMTADRA2AADRA2BADRA2C
SCHEMBL29589725 0.80 ALDH1A1 (0.59) MELKPNMTADRA2AADRA2BADRA2C
SCHEMBL9561102 0.80 ALDH1A1 (0.63) —
Trifluoroacetic Acid SCHEMBL1077606 0.79 MELK (0.51) MELKPNMT
SCHEMBL29728413 0.79 PNMT (0.53) MELKPNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL15671006 0.79 ALDH1A1 (0.58) MELKPNMTADRA2AADRA2BADRA2C
SCHEMBL3248558 0.79 MELK (0.56) MELKPNMTADRA2AADRA2BADRA2C
SCHEMBL1033504 0.79 PNMT (0.53) MELKPNMTADRA2AADRA2BADRA2C
Trifluoroacetic Acid SCHEMBL31335937 0.78 MELK (0.44) MELKPNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL17748278 0.78 PNMT (0.51) MELKPNMTADRA2AADRA2BADRA2C

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-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 — — EP claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 — — US claimed
US-7393875-B2 Reducing islet amyloid polypeptide (IAPP) associated deposit; type II diabetes NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-07-01 — — US disclosed
Send feedback