SCHEMBL9301048

SCHEMBL9301048

COc1ccccc1OCC(O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ATM Q13315 1/20 0.53
KCNH2 Q12809 2/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABCB1 P08183 5/20 0.51
MAPT P10636 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1A P35348 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL10379764 0.87 L3MBTL1 (0.62) MEN1KMT2AKCNH2ABCB1MAPT
SCHEMBL9300786 0.87 MAPT (0.48) MEN1KMT2ALMNASMN1; SMN2ABCB1
SCHEMBL9300738 0.85 HTR7 (0.50) MEN1KMT2ALMNASMN1; SMN2ABCB1
SCHEMBL9193205 0.85 L3MBTL1 (0.59) MEN1KMT2AKCNH2ABCB1MAPT
SCHEMBL9187274 0.85 MAPT (0.60) MEN1KMT2AKCNH2ABCB1MAPT
SCHEMBL8617368 0.83 KCNH2 (0.52) MEN1KMT2AKCNH2LMNASMN1; SMN2
SCHEMBL9141618 0.83 MAPT (0.49) MEN1KMT2AKCNH2LMNASMN1; SMN2
SCHEMBL9300891 0.82 TSHR (0.64) MEN1KMT2AKCNH2LMNASMN1; SMN2
SCHEMBL9301602 0.82 TSHR (0.64) MEN1KMT2AKCNH2LMNASMN1; SMN2
SCHEMBL9301397 0.82 MAPT (0.57) MEN1KMT2AATMKCNH2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342839-A Useful for therapy of oxygen deficiency diseases of the brain BASF AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed
WO-1990003371-A1 2-HYDROXY-3-PHENOXY-PROPYL-SUBSTITUTED PIPERAZINES AND HOMOPIPERAZINES, THEIR MANUFACTURE AND USE BASF AKTIENGESELLSCHAFT (DE) 1990-04-05 WO disclosed