SCHEMBL17285642

SCHEMBL17285642

CC(=O)CCCNC(=O)NCCc1cnc[nH]1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.67
QPCTL Q9NXS2 1/20 0.67
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 1/20 0.56
EPHX1 P07099 1/20 0.54
HTR3E A5X5Y0 3/20 0.52
HTR3B O95264 3/20 0.52
HTR3A P46098 3/20 0.52
HTR3D Q70Z44 3/20 0.52
HTR3C Q8WXA8 3/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL17285591 0.92 QPCT (0.70) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL21858082 0.87 QPCT (0.75) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL17285644 0.86 QPCT (0.70) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL8396139 0.82 QPCT (0.69) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL19051468 0.82 QPCT (0.78) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL12999042 0.81 QPCT (1.00) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL14091154 0.80 HRH4 (0.67) QPCTQPCTLHRH4HRH3
SCHEMBL26262095 0.79 TBXAS1 (0.71) QPCTQPCTLHRH4HRH3
SCHEMBL8070335 0.79 QPCT (0.64) QPCTQPCTLCYP3A4CYP2D6TSHR
SCHEMBL31483846 0.79 QPCT (0.83) QPCTQPCTLCYP3A4CYP2D6TSHR

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
WO-2015178404-A1 CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF 富士化学工業株式会社 2015-11-26 WO disclosed