SCHEMBL7669028

SCHEMBL7669028

CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1CBr

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.50
CCR2 P41597 9/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
CYP17A1 P05093 1/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL4050662 0.88 RXFP1 (0.51) RXFP1CCR2CYP1A2CYP2C9CYP2C19
SCHEMBL22941300 0.84 KCNQ4 (0.47) RXFP1MAPTHTTKCNQ4KCNQ5
SCHEMBL22941720 0.83 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL7509534 0.83 RXFP1 (0.47) RXFP1CCR2CYP1A2CYP2C9CYP2C19
SCHEMBL29803126 0.82 RXFP1 (0.53) RXFP1CCR2CYP1A2CYP2C9CYP2C19
SCHEMBL18358683 0.82 RXFP1 (0.53) RXFP1CCR2CYP1A2CYP2C9CYP2C19
SCHEMBL29803307 0.82 RXFP1 (0.55) RXFP1CCR2CYP1A2CYP2C9CYP2C19
SCHEMBL7667607 0.82 RXFP1 (0.55) RXFP1CCR2CYP1A2CYP2C9CYP2C19
SCHEMBL7667429 0.82 ALDH1A1 (0.47) RXFP1CCR2CYP1A2CYP2C9CYP2C19
SCHEMBL7379044 0.81 RXFP1 (0.43) RXFP1CCR2CYP1A2CYP2C9CYP2C19

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-7179909-B2 Process for the manufacture of a product of the thiazolo [3,4,5-de] [4,1]benzothiazepine type AVENTIS PHARMA S.A. (FR) 2007-02-20 US disclosed
US-6369221-B1 Thiazolobenzoheterocycles, preparation and medicines containing same AVENTIS PHARMA S.A. (FR) 2002-04-09 US disclosed