SCHEMBL7258461

SCHEMBL7258461

CC1(C)CC(NCCc2ccccc2)c2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPV1 Q8NER1 4/20 0.42
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
GRIN2B Q13224 2/20 0.41
LMNA P02545 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39

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
SCHEMBL11291814 0.81 LMNA (0.48) TAAR1ALDH1A1TRPV1CTSDBACE1
SCHEMBL10848449 0.80 HTR2A (0.46) TAAR1ALDH1A1MAPTHTTTSHR
SCHEMBL11285044 0.80 LMNA (0.47) TAAR1ALDH1A1TRPV1CTSDBACE1
SCHEMBL11285051 0.78 HTT (0.38) TAAR1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5744441 0.76 TAAR1 (0.38) TAAR1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL11862252 0.75 MGAM (0.44) TAAR1ALDH1A1MAPTGRIN2BHTR2A
SCHEMBL11486948 0.75 TRPV1 (0.43) TAAR1TRPV1CTSDBACE1LMNA
SCHEMBL924430 0.74 BACE1 (0.55) TRPV1CTSDBACE1BACE2
SCHEMBL924428 0.74 BACE1 (0.55) TRPV1CTSDBACE1BACE2
SCHEMBL27700171 0.74 TRPV1 (0.47) TAAR1ALDH1A1MAPTHTTTSHR

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
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 WO disclosed