SCHEMBL7646963

SCHEMBL7646963

CC(=O)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.75
ALDH1A1 P00352 3/20 0.75
LMNA P02545 1/20 0.75
GAA P10253 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
FAAH O00519 12/20 0.70
TDP1 Q9NUW8 1/20 0.69
MGLL Q99685 5/20 0.65
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
CCR8 P51685 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL3644401 0.89 KDM4E (0.79) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7650588 0.88 FAAH (0.68) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL30302091 0.87 KDM4E (0.75) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL13991979 0.87 KDM4E (0.75) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL17276624 0.87 KDM4E (0.75) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL19049381 0.86 ALDH1A1 (0.71) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL17276255 0.84 MGLL (0.68) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL28864447 0.84 ALDH1A1 (0.72) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL1943497 0.83 HRH3 (0.75) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL3593916 0.83 FAAH (1.00) FAAH

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
CN-1149214-C Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient ������������ʽ���� 2004-05-12 CN disclosed
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed