SCHEMBL7242356

SCHEMBL7242356

CCC(CCCN1CCC(NC(=O)c2ccccc2-c2ccc(Br)cc2)CC1)(CC(=O)OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTTP P55157 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ MTR Q99707 1/20 0.44
▸ HTR7 P34969 3/20 0.44
▸ CCR3 P51677 1/20 0.41
▸ DRD4 P21917 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL7241451 0.94 HTR7 (0.49) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7242063 0.94 HTR7 (0.45) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7241390 0.93 KCNA3 (0.43) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7233322 0.92 MTTP (0.42) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7241707 0.92 MTTP (0.42) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7235152 0.92 CCR3 (0.48) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7237151 0.92 MTTP (0.46) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7242329 0.92 MTTP (0.44) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7234335 0.92 POLB (0.45) MTTPCHRM2ADRA2AADORA3CHRM1
Bromide SCHEMBL7242338 0.92 MTTP (0.44) MTTPCHRM2ADRA2AADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617325-B1 Inhibitors of the microsomal triglyceride-transfer protein BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-09 — — US disclosed
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