SCHEMBL9634003

SCHEMBL9634003

COC(=O)NCCOc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
LTA4H P09960 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FAAH O00519 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 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
SCHEMBL9547868 0.90 MTNR1A (0.49) MTNR1AMTNR1BLTA4HSMN1; SMN2LMNA
SCHEMBL9632354 0.87 MAPT (0.51) MTNR1AMTNR1BLTA4HSMN1; SMN2LMNA
SCHEMBL9634347 0.86 FAAH (0.51) MTNR1AMTNR1BLTA4HSMN1; SMN2LMNA
SCHEMBL9633817 0.86 SMN1; SMN2 (0.48) MTNR1AMTNR1BLTA4HSMN1; SMN2LMNA
SCHEMBL9634358 0.85 FAAH (0.56) LTA4HSMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL9632340 0.84 LTA4H (0.55) MTNR1AMTNR1BLTA4HSMN1; SMN2LMNA
SCHEMBL5113209 0.81 MTNR1A (0.73) MTNR1AMTNR1BSMN1; SMN2LMNANPC1
SCHEMBL11841640 0.81 MTNR1A (0.58) MTNR1AMTNR1BLTA4HNPC1MAPT
SCHEMBL3585001 0.81 CA12 (0.67) MTNR1AMTNR1BSMN1; SMN2LMNANPC1
SCHEMBL10829128 0.80 LTA4H (0.57) LTA4HSMN1; SMN2LMNAL3MBTL1FAAH

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
US-5114968-A Ovicides, pesticides CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed