SCHEMBL6153218

SCHEMBL6153218

[CH2]Oc1ccc(N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.50
▸ LMNA P02545 2/20 0.47
▸ CHRNA7 P36544 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SIGMAR1 Q99720 4/20 0.47
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ HTR3D Q70Z44 1/20 0.47
▸ HTR3C Q8WXA8 1/20 0.47
▸ DRD2 P14416 4/20 0.46
▸ HTR1A P08908 3/20 0.46
▸ DRD3 P35462 3/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HRH1 P35367 2/20 0.46
▸ TMEM97 Q5BJF2 2/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ ALOX15 P16050 2/20 0.45

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
SCHEMBL7258870 0.82 LMNA (0.64) LMNACHRNA7MAPTSIGMAR1HTR3E
SCHEMBL19615164 0.79 LMNA (0.52) LMNAMAPTALOX15ALDH1A1PKM
SCHEMBL6153220 0.79 ALDH1A1 (0.66) LMNAMAPTSIGMAR1HTR3EHTR3B
SCHEMBL576454 0.79 LMNA (0.67) LMNACHRNA7MAPTSIGMAR1HTR3E
SCHEMBL576814 0.79 LMNA (0.67) LMNACHRNA7MAPTSIGMAR1HTR3E
SCHEMBL385012 0.79 — —
SCHEMBL16924853 0.79 LMNA (0.67) LMNACHRNA7MAPTSIGMAR1HTR3E
SCHEMBL164538 0.79 LMNA (0.67) LMNACHRNA7MAPTSIGMAR1HTR3E
SCHEMBL8564919 0.77 MAPT (0.61) MAPTSIGMAR1HTR3EHTR3BADRB1
SCHEMBL19615056 0.74 SMN1; SMN2 (0.53) LMNAMAPTALDH1A1PKMHSD17B10

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-1068200-B1 2,4,4-TRISUBSTITUTED-1,3-DIOXOLANE ANTIFUNGALS JANSSEN PHARMACEUTICA NV (BE) 2005-02-16 — — EP disclosed
US-6387906-B1 DERMATOPHYTES JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-14 — — US disclosed
EP-1068200-A1 2,4,4-TRISUBSTITUTED-1,3-DIOXOLANE ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-17 — — EP disclosed
WO-1999002523-A1 2,4,4-TRISUBSTITUTED-1,3-DIOXOLANE ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 — — WO disclosed
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