SCHEMBL10548748

SCHEMBL10548748

CC(CC(=O)CBr)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.50
FFAR1 O14842 1/20 0.49
ACHE P22303 1/20 0.49
HPGD P15428 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 2/20 0.46
BCHE P06276 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TRPA1 O75762 2/20 0.44

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
SCHEMBL7398650 0.88 ACHE (0.60) FFAR1ACHEHPGDCYP3A4CYP2C19
SCHEMBL11399936 0.88 ACHE (0.60) FFAR1ACHEHPGDCYP3A4CYP2C19
SCHEMBL4445084 0.82 TAAR1 (0.52) FFAR1ACHEHPGDCYP3A4CYP2C19
SCHEMBL6178878 0.82 ALDH1A1 (0.50) FFAR1ACHEHPGDCYP3A4CYP2C19
SCHEMBL18980600 0.82 ALDH1A1 (0.50) FFAR1ACHEHPGDCYP3A4CYP2C19
SCHEMBL11154821 0.81 FFAR1 (0.53) FFAR1ACHEHPGDCYP3A4CYP2C19
SCHEMBL11673964 0.80 FFAR1 (0.51) FFAR1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL237091 0.79 FFAR1 (0.70) FFAR1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL1149768 0.79 FFAR1 (0.70) FFAR1HPGDCYP3A4CYP2C19RAB9A
SCHEMBL237090 0.79 FFAR1 (0.70) FFAR1HPGDCYP3A4CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4826864-A Substituted imidazole derivatives useful as antihypertensive or antithromtic agent or divretic FARMOS GROUP LTD. (FI) 1989-05-02 US disclosed
US-4639464-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1987-01-27 US disclosed
EP-0072615-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1985-12-27 EP disclosed
US-4544664-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1985-10-01 US disclosed