SCHEMBL7786872

SCHEMBL7786872

CC1(c2cc(Br)ccc2OCc2ccccc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.50
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 1/20 0.49
SLC6A4 P31645 3/20 0.47
PTGDR Q13258 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
MAOB P27338 1/20 0.46
PTPN1 P18031 1/20 0.45
USP28 Q96RU2 1/20 0.43
USP25 Q9UHP3 1/20 0.43
PTP4A3 O75365 1/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL23599369 0.93 CCR5 (0.50) CCR5ALDH1A1RAB9ASLC6A4MAOB
SCHEMBL9125511 0.81 RARB (0.54) RAB9APTGDRPTGDR2SMN1; SMN2
SCHEMBL23599817 0.80 CCR5 (0.48) CCR5ALDH1A1RAB9ASLC6A4MAOB
SCHEMBL5813897 0.79 PTPN1 (0.47) CCR5ALDH1A1RAB9ASLC6A4MAOB
SCHEMBL4886176 0.79 PTGDR2 (0.73) ALDH1A1PTGDRPTGDR2
SCHEMBL17847413 0.77 PTGDR (0.44) ALDH1A1RAB9APTGDRPTGDR2LMNA
SCHEMBL11479294 0.77 RAB9A (0.47) CCR5ALDH1A1RAB9ASLC6A4PTPN1
SCHEMBL5827697 0.77 RARA (0.50) ALDH1A1PTGDRPTGDR2MAOBLMNA
SCHEMBL6619470 0.74 PTGDR2 (0.42) ALDH1A1PTGDRPTGDR2HTT
SCHEMBL3312632 0.74 SLC6A4 (0.50) CCR5ALDH1A1RAB9ASLC6A4MAOB

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-0643701-B1 BENZIMIDAZOLE-DERIVED COMPOUNDS, METHOD FOR PREPARING SAME, AND THERAPEUTICAL AND COSMETIC USES THEREOF CT INTERNAT DE RECH S BR DERMA (FR) 2001-12-05 EP disclosed
EP-0643701-A1 BENZIMIDAZOLE-DERIVED COMPOUNDS, METHOD FOR PREPARING SAME, AND THERAPEUTICAL AND COSMETIC USES THEREOF CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-03-22 EP disclosed
WO-1992021663-A1 BENZIMIDAZOLE-DERIVED COMPOUNDS, METHOD FOR PREPARING SAME, AND THERAPEUTICAL AND COSMETIC USES THEREOF CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-12-10 WO disclosed