SCHEMBL11023397

SCHEMBL11023397

CC(C)NCCc1ccccc1Br

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
PYCR1 P32322 1/20 0.39
IDO1 P14902 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL14650407 0.80 BCHE (0.47) TAAR1TSHRCYP1A2CYP2D6NFKB1
SCHEMBL2998659 0.79 TAAR1 (0.56) TAAR1TSHRCYP1A2CYP2D6NFKB1
SCHEMBL21345586 0.78 TAAR1 (0.50) TAAR1SLC6A2HTR2ASIGMAR1ADRB2
SCHEMBL3056754 0.78 TAAR1 (1.00) TAAR1TSHRHTR2ALMNAIDO1
SCHEMBL25453155 0.77 MPO (0.56) TAAR1TSHRCYP2D6HSD17B10
SCHEMBL12312602 0.77 TAAR1 (0.63) TAAR1CYP1A2CYP2D6CYP2C19SLC6A2
SCHEMBL4852440 0.77 TAAR1 (0.63) TAAR1SLC6A2HTR2ALMNAIDO1
SCHEMBL5183864 0.77 SLC6A2 (0.41) TAAR1SLC6A2HTR2ASIGMAR1ADRB2
SCHEMBL11155402 0.77 TAAR1 (0.48) TAAR1CYP1A2CYP2D6CYP2C19SLC6A2
SCHEMBL30878491 0.75 TAAR1 (0.56) TAAR1CYP1A2CYP2D6CYP2C19ANPEP

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
EP-0163948-A1 Process for producing an indoline IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1985-12-11 EP disclosed