SCHEMBL9539239

SCHEMBL9539239

c1ccc(OCCc2ccccc2CN(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.45
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
THRB P10828 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1B P28222 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL9185593 0.85 MTNR1A (0.39) KCNA3TAAR1ALDH1A1RECQLNPC1
SCHEMBL9185533 0.81 SLC6A4 (0.54) KCNA3TAAR1ALDH1A1RECQLHTR1B
Bromide SCHEMBL9181732 0.79 SLC6A4 (0.53) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL9183113 0.78 LTA4H (0.46) KCNA3NPC1TSHRSMN1; SMN2LTA4H
SCHEMBL9180605 0.72 SLC6A2 (0.53) KCNA3HTR1BHDAC3HDAC4HDAC1
SCHEMBL9182367 0.72 LTA4H (0.50) ALDH1A1SMN1; SMN2DRD2DRD3LTA4H
Hydrochloric Acid SCHEMBL9179819 0.71 SLC6A2 (0.51) KCNA3HTR1BHDAC3HDAC4HDAC1
SCHEMBL18919802 0.71 KCNA3 (0.52) KCNA3TAAR1ALDH1A1RECQLNPC1
SCHEMBL11705264 0.71 HRH1 (0.56) KCNA3TAAR1ALDH1A1RECQLNPC1
SCHEMBL6870366 0.71 KCNA3 (0.52) KCNA3TAAR1ALDH1A1RECQLNPC1

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-1993002398-A1 TONERS AND DEVELOPERS CONTAINING ETHER-CONTAINING QUATERNARY AMMONIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed