SCHEMBL8670698

SCHEMBL8670698

[CH2]C(c1ccccc1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
SLC18A3 Q16572 1/20 0.50
CCR3 P51677 6/20 0.49
ALDH1A1 P00352 4/20 0.48
OPRD1 P41143 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.43
GAA P10253 1/20 0.43
SLC1A2 P43004 1/20 0.43

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
SCHEMBL949225 0.79 CYP1A2 (0.63) L3MBTL3L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL16226347 0.77 CHRM2 (0.54) L3MBTL3L3MBTL1CHRM2CHRM1SLC18A3
SCHEMBL16226856 0.77 CHRM2 (0.54) L3MBTL3L3MBTL1CHRM2CHRM1SLC18A3
SCHEMBL7616842 0.77 GAA (0.65) CHRM2CHRM1CCR3ALDH1A1OPRD1
SCHEMBL16226855 0.77 CHRM2 (0.54) L3MBTL3L3MBTL1CHRM2CHRM1SLC18A3
SCHEMBL11811001 0.77 CHRM2 (0.61) L3MBTL3L3MBTL1CHRM2CHRM1SLC18A3
SCHEMBL16226532 0.77 CHRM2 (0.54) L3MBTL3L3MBTL1CHRM2CHRM1SLC18A3
SCHEMBL16226533 0.77 CHRM2 (0.54) L3MBTL3L3MBTL1CHRM2CHRM1SLC18A3
SCHEMBL945419 0.77 CYP2D6 (0.61) L3MBTL3L3MBTL1CHRM2CHRM1ALDH1A1
SCHEMBL16226689 0.76 TSHR (0.68) CHRM1CCR3OPRD1GAA

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-5708006-A ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM KG (DE) 1998-01-13 US disclosed
US-5696123-A ALPHA-PIPERAZINYL BENZYL COMPOUND AS TACHYKININ ANTAGONIST TREATING ASTHMA, BRONCHITIS, SKIN DISORDER, EYE DISEASE, HEADACHE, GASTROINTESTINAL DISORDER BOEHRINGER INGELHEIM KG (DE) 1997-12-09 US disclosed