SCHEMBL10366605

SCHEMBL10366605

O=C(c1ccccc1F)C1CCN(CI)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
MGLL Q99685 1/20 0.49
HTR2A P28223 4/20 0.45
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK14 Q16539 1/20 0.43
EPHX2 P34913 1/20 0.42
GRM2 Q14416 1/20 0.42
SLC6A1 P30531 1/20 0.42
SLC18A3 Q16572 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Hydrochloric Acid SCHEMBL10365798 0.99 HSD11B1 (0.50) HSD11B1MGLLHTR2AKMT2ATDP1
SCHEMBL10164227 0.83 KMT2A (0.59) HTR2AKMT2AHTR2C
SCHEMBL10371607 0.82 HSD11B1 (0.48) HSD11B1MGLLHTR2AKMT2ATDP1
SCHEMBL10447258 0.81 HTR2A (0.69) HTR2AHTR2CHTR7HTR6GRM2
SCHEMBL29591363 0.81 CES2 (0.56) HSD11B1MGLLKMT2ATDP1CYP2C9
SCHEMBL718095 0.81 CES2 (0.56) HSD11B1MGLLKMT2ATDP1CYP2C9
SCHEMBL6661943 0.80 HSD11B1 (0.55) HSD11B1MGLLKMT2AHTR7EPHX2
Hydrochloric Acid SCHEMBL10395819 0.79 HSD11B1 (0.53) HSD11B1MGLLKMT2AHTR7EPHX2
SCHEMBL17938078 0.79 HSD11B1 (0.60) HSD11B1MGLLKMT2ACYP2C9CYP2C19
SCHEMBL5927208 0.79 KMT2A (0.52) HSD11B1MGLLKMT2ASLC18A3

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
EP-0127167-B1 3-(4-PIPERIDINYL)-1,2-BENZISOTHIAZOLES AND DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-04-04 EP disclosed