SCHEMBL20198676

SCHEMBL20198676

NCCCCc1cccc2ccc(O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.54
MTNR1B P49286 2/20 0.54
NQO2 P16083 3/20 0.49
MCL1 Q07820 1/20 0.46
TLR8 Q9NR97 4/20 0.45
TRPV1 Q8NER1 1/20 0.42
DRD1 P21728 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
HTR1D P28221 1/20 0.40

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
SCHEMBL7103988 0.88 MTNR1A (0.57) MTNR1AMTNR1BNQO2MCL1TRPV1
Bromide SCHEMBL7245774 0.87 MTNR1A (0.56) MTNR1AMTNR1BNQO2MCL1TRPV1
Hydrochloric Acid SCHEMBL15661933 0.87 MTNR1A (0.56) MTNR1AMTNR1BNQO2MCL1TRPV1
SCHEMBL26061042 0.85 MTNR1A (0.55) MTNR1AMTNR1BNQO2MCL1TRPV1
SCHEMBL26059358 0.83 CYP3A4 (0.57) MTNR1AMTNR1BNQO2MCL1TRPV1
SCHEMBL8020797 0.81 MTNR1A (0.67) MTNR1AMTNR1BNQO2TLR8TRPV1
SCHEMBL12676044 0.81 MTNR1A (0.53) MTNR1AMTNR1BNQO2MCL1TRPV1
SCHEMBL11586989 0.80 TLR8 (0.51) MTNR1ATLR8HTR2ACYP1A2CYP3A4
SCHEMBL30301302 0.79 SLC6A4 (0.51) MTNR1ANQO2TLR8CYP1A2CYP2D6
SCHEMBL131656 0.79 SLC6A4 (0.51) MTNR1ANQO2TLR8CYP1A2CYP2D6

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-1885366-B1 PHARMACOLOGICAL CHAPERONES FOR TREATING OBESITY AMICUS THERAPEUTICS INC (US) 2018-05-30 EP disclosed