SCHEMBL6994080

SCHEMBL6994080

COc1ccc2c(c1OC)C[C@H](C1CCN(C(=O)C(F)(F)F)CC1)O[C@@H]2CNC=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.37
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TYRO3 Q06418 2/20 0.33
MERTK Q12866 2/20 0.33
PARP1 P09874 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1B P35368 1/20 0.32
RBP4 P02753 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
HSD17B10 Q99714 1/20 0.31
AXL P30530 1/20 0.31

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
SCHEMBL6994077 1.00 DRD1 (0.37) DRD1KDM4EHPGDSMN1; SMN2TYRO3
SCHEMBL6997554 0.90 DRD1 (0.40) DRD1KDM4EHPGDSMN1; SMN2PARP1
SCHEMBL6996305 0.90 DRD1 (0.40) DRD1KDM4EHPGDSMN1; SMN2PARP1
SCHEMBL6996299 0.90 DRD1 (0.40) DRD1KDM4EHPGDSMN1; SMN2PARP1
SCHEMBL6998050 0.85 L3MBTL1 (0.37) SMN1; SMN2KMT2A
SCHEMBL6998054 0.85 L3MBTL1 (0.37) SMN1; SMN2KMT2A
SCHEMBL6998063 0.85 L3MBTL1 (0.37) SMN1; SMN2KMT2A
SCHEMBL6988766 0.83 DRD1 (0.38) DRD1SMN1; SMN2PARP1KMT2A
SCHEMBL6988755 0.83 DRD1 (0.38) DRD1SMN1; SMN2PARP1KMT2A
SCHEMBL6988760 0.83 DRD1 (0.38) DRD1SMN1; SMN2PARP1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP claimed
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US claimed
EP-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP disclosed
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed