SCHEMBL6980070

SCHEMBL6980070

CCCCCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.68
TRPV1 Q8NER1 8/20 0.67
HTR1D P28221 4/20 0.66
HTR2C P28335 5/20 0.65
HTR1A P08908 4/20 0.63
HTR2A P28223 3/20 0.63
CYP2D6 P10635 3/20 0.63
HTR2B P41595 2/20 0.63
HTR1B P28222 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
HTR3E A5X5Y0 1/20 0.63
HTR3B O95264 1/20 0.63
CYP2C9 P11712 1/20 0.63
TSHR P16473 1/20 0.63
DRD1 P21728 1/20 0.63
HTR1E P28566 1/20 0.63
HTR1F P30939 1/20 0.63
HTR7 P34969 1/20 0.63
DRD3 P35462 1/20 0.63

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
SCHEMBL6978810 0.98 SLC6A4 (0.69) SLC6A4TRPV1HTR1DHTR2CHTR1A
SCHEMBL6987521 0.94 SLC6A4 (0.71) SLC6A4TRPV1HTR1DHTR2CHTR1A
SCHEMBL7002494 0.91 HTR2C (0.77) SLC6A4HTR1DHTR2CHTR1AHTR2A
SCHEMBL6986225 0.87 HTR1D (0.73) SLC6A4TRPV1HTR1DHTR2CHTR1A
SCHEMBL25076883 0.86 TRPV1 (0.69) TRPV1HTR1DHTR2CHTR1ACYP2D6
SCHEMBL23633204 0.86 TRPV1 (0.69) TRPV1HTR1DHTR2CHTR1ACYP2D6
SCHEMBL23630278 0.86 TRPV1 (0.69) TRPV1HTR1DHTR2CHTR1ACYP2D6
SCHEMBL25076884 0.86 TRPV1 (0.69) TRPV1HTR1DHTR2CHTR1ACYP2D6
SCHEMBL25076703 0.86 TRPV1 (0.69) TRPV1HTR1DHTR2CHTR1ACYP2D6
SCHEMBL14907374 0.86 TRPV1 (0.69) TRPV1HTR1DHTR2CHTR1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 WO disclosed