SCHEMBL16974091

SCHEMBL16974091

COc1ccc2c(c1)C(CC(C)(C)C(=O)O)C(C)(C)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MTNR1A P48039 10/20 0.39
MTNR1B P49286 9/20 0.38
NQO2 P16083 8/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
POLA1 P09884 2/20 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
SCHEMBL19732883 0.79 MAPT (0.35) SLC6A2OPRM1SIGMAR1MTNR1B
SCHEMBL7943657 0.74 MTNR1A (0.64) MTNR1AMTNR1BNQO2
Hydrochloric Acid SCHEMBL7951233 0.73 HTR2B (0.50) ADRB2HTR1AADRA2AADRA2BSLC6A2
SCHEMBL18241632 0.72 MTNR1A (0.38) ADRB2HTR1AADRA2AADRA2BSLC6A2
SCHEMBL28415469 0.71 HTR2C (0.43) ADRB2HTR1AADRA2AADRA2BSLC6A2
SCHEMBL2351032 0.68 FFAR1 (0.47) SLC6A2SLC6A3
SCHEMBL5480835 0.68 CYP24A1 (0.46) SIGMAR1MTNR1AMTNR1BNQO2PTGDR2
SCHEMBL19490670 0.67 SLC6A2 (0.43) ADRB2HTR1AADRA2AADRA2BSLC6A2
SCHEMBL3411463 0.65 OPRM1 (0.38) OPRM1OPRK1MTNR1AMTNR1BNQO2
SCHEMBL2347895 0.65 F2RL1 (0.42) SLC6A2SLC6A3MTNR1A

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-3099671-B1 METHOD FOR THE PRODUCTION OF 1-INDANOLES AND 1-INDANAMINES BAYER CROPSCIENCE AG (DE) 2017-12-27 EP disclosed
EP-3099671-A1 METHOD FOR PRODUCING 1-INDANOLES AND 1-INDANAMINES Bayer CropScience Aktiengesellschaft (DE) 2016-12-07 EP disclosed
WO-2015113903-A1 METHOD FOR PRODUCING 1-INDANOLES AND 1-INDANAMINES BAYER CROPSCIENCE AG (DE) 2015-08-06 WO disclosed