SCHEMBL5190986

SCHEMBL5190986

Clc1ccc(-c2ccccc2COCCOCc2ccccc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.48
FFAR1 O14842 2/20 0.48
CYP2C19 P33261 1/20 0.44
TACR1 P25103 1/20 0.42
HTR7 P34969 1/20 0.41
CYP1A2 P05177 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
ADAMTS4 O75173 2/20 0.39
ADAMTS5 Q9UNA0 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
DPP4 P27487 1/20 0.38
GBA1 P04062 2/20 0.38
LCT P09848 2/20 0.38
SI P14410 2/20 0.38
UGCG Q16739 2/20 0.38
GBA2 Q9HCG7 2/20 0.38

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
SCHEMBL4669317 0.85 CYP3A4 (0.44) FFAR4FFAR1CYP2C19CYP1A2SLC6A4
SCHEMBL1520992 0.81 IDO1 (0.55) FFAR4FFAR1CYP2C19
SCHEMBL20602046 0.81 HRH3 (0.55) CYP2C19HTR7CYP1A2SLC6A4SLC6A3
SCHEMBL9291600 0.80 FFAR4 (0.57) FFAR4FFAR1CYP2C19SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL15709211 0.80 HRH3 (0.54) CYP2C19HTR7CYP1A2SLC6A4SLC6A3
SCHEMBL9292754 0.79 CYP2C19 (0.57) FFAR4FFAR1CYP2C19SLC6A4SLC6A3
SCHEMBL4667598 0.77 TACR1 (0.60) FFAR4FFAR1CYP2C19TACR1HTR7
SCHEMBL28257937 0.76 TACR1 (0.48) FFAR4FFAR1TACR1HTR7CHRNB2
SCHEMBL9338655 0.76 TACR1 (0.58) FFAR4FFAR1TACR1HTR7CHRNB2
SCHEMBL1559894 0.76 CYP2C19 (0.49) FFAR4FFAR1CYP2C19HTR7CYP1A2

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-0983222-B1 PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CEREBRAL AMYLOIDOSIS NYMOX CORP (CA) 2007-11-28 EP disclosed
US-6130221-A ALZHEIMERS NYMOX CORPORATION (CA) 2000-10-10 US disclosed
WO-1998052898-A9 PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CEREBRAL AMYLOIDOSIS NYMOX CORP (CA) 1999-04-01 WO disclosed