SCHEMBL7397120

SCHEMBL7397120

O=C(/C=C/Cc1ccccc1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
FKBP1A P62942 1/20 0.54
HTT P42858 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
NPC1 O15118 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
APP P05067 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
AKR1C3 P42330 1/20 0.49
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL7397122 1.00 RAB9A (0.61) RAB9AFKBP1AHTTMEN1KMT2A
SCHEMBL4052147 0.84 RAB9A (0.56) RAB9AFKBP1AHTTMEN1KMT2A
SCHEMBL3592470 0.76 RAB9A (1.00) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL3592465 0.76 RAB9A (1.00) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL9298956 0.74 MAOB (0.61) ALDH1A1SMN1; SMN2CYP2C9CYP2C19MAPT
SCHEMBL6666145 0.74 MAPK1 (0.57) RAB9AFKBP1AHTTMEN1KMT2A
SCHEMBL1516144 0.72 MAPT (0.82) RAB9AFKBP1AMEN1KMT2ANPSR1
SCHEMBL4049634 0.72 RAB9A (0.71) RAB9AFKBP1AMEN1KMT2AALDH1A1
SCHEMBL24268665 0.72 RAB9A (0.47) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL21889705 0.72 RAB9A (0.47) RAB9ANPSR1ALDH1A1TSHRNPC1

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-1992000972-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-01-23 WO disclosed