SCHEMBL16804116

SCHEMBL16804116

O=C1C2C(C(=O)N1CC1CCCCC1CN1CCN(C3=NS(=O)(=O)c4ccccc43)CC1)[C@@H]1CC[C@H]2C1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTR2B P41595 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 3/20 0.45
POLB P06746 2/20 0.44
LDHA P00338 1/20 0.44
DRD2 P14416 2/20 0.43
ADRA2C P18825 2/20 0.43
HTR2A P28223 2/20 0.43
ABCB11 O95342 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADRA2B P18089 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
ACHE P22303 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL19084426 0.90 HTR2B (0.55) ALDH1A1HTR2BSMN1; SMN2TSHRPOLB
SCHEMBL18673156 0.85 ALDH1A1 (0.44) ALDH1A1HTR2BSMN1; SMN2TSHRPOLB
SCHEMBL19084395 0.81 ALDH1A1 (0.45) ALDH1A1HTR2BSMN1; SMN2TSHRPOLB
SCHEMBL16804115 0.74 HTR2B (0.79) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL18673182 0.74 HTR2B (0.79) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL12620197 0.68 HTR2B (0.81) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL12653555 0.68 HTR2B (0.81) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL12653144 0.68 HTR2B (0.81) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL12620231 0.68 HTR2B (0.81) HTR2BDRD2ADRA2CHTR2AABCB11
SCHEMBL12653557 0.68 HTR2B (0.81) HTR2BDRD2ADRA2CHTR2AABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170192025-A1 METHODS OF MONITORING ADHERENCE TO LURASIDONE THERAPY AMERITOX LLC (US) 2017-07-06 US disclosed
US-20170192025-A1 METHODS OF MONITORING ADHERENCE TO LURASIDONE THERAPY AMERITOX LLC (US) 2017-07-06 US disclosed
US-9606132-B2 Methods of monitoring adherence to lurasidone therapy AMERITOX, LTD. (US) 2017-03-28 US disclosed
US-9606132-B2 Methods of monitoring adherence to lurasidone therapy AMERITOX, LTD. (US) 2017-03-28 US disclosed
US-20150168431-A1 METHODS OF MONITORING ADHERENCE TO LURASIDONE THERAPY AMERITOX, LTD. 2015-06-18 US disclosed
US-20150168431-A1 METHODS OF MONITORING ADHERENCE TO LURASIDONE THERAPY AMERITOX, LTD. 2015-06-18 US disclosed