SCHEMBL31420194

SCHEMBL31420194

O=C(CCc1ccccc1)N1CCN(CCO)CC1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.97
KDM4E B2RXH2 1/20 0.70
NPC1 O15118 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
SIGMAR1 Q99720 3/20 0.66
FKBP1A P62942 1/20 0.61
POLB P06746 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ME2 P23368 1/20 0.58
ME1 P48163 1/20 0.58
ME3 Q16798 1/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
GFER P55789 1/20 0.57
MAPT P10636 1/20 0.57
HTR1A P08908 1/20 0.56
HTR7 P34969 1/20 0.56
NAAA Q02083 1/20 0.56
KCNH2 Q12809 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL7131839 0.87 NPC1 (0.86) TSHRNPC1TDP1SIGMAR1FKBP1A
SCHEMBL14100159 0.85 TSHR (0.72) TSHRKDM4ENPC1TDP1SIGMAR1
SCHEMBL9819732 0.84 TSHR (0.71) TSHRNPC1TDP1SIGMAR1FKBP1A
SCHEMBL10975702 0.84 TSHR (0.71) TSHRKDM4ESIGMAR1L3MBTL1ME2
SCHEMBL2377541 0.84 TSHR (0.70) TSHRKDM4ENPC1TDP1SIGMAR1
SCHEMBL10162567 0.83 HSD11B1 (0.72) TSHRKDM4ENPC1TDP1SIGMAR1
SCHEMBL10163014 0.83 NPC1 (0.73) TSHRNPC1TDP1SIGMAR1FKBP1A
SCHEMBL31512422 0.81 TSHR (0.66) TSHRNPC1TDP1SIGMAR1FKBP1A
SCHEMBL3796874 0.81 NPC1 (0.75) TSHRNPC1TDP1SIGMAR1FKBP1A
SCHEMBL25432319 0.80 NPC1 (0.93) TSHRNPC1TDP1FKBP1APOLB

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-2025058989-A1 NOVEL COMPOUNDS FOR TREATING CANCER MARSAL THERAPEUTICS, INC. (US) 2025-03-20 WO disclosed