SCHEMBL5603877

SCHEMBL5603877

CCCCN1CCC(NCc2cccc(CN(CCc3ccccn3)Cc3ccccn3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 7/20 0.42
▸ PRMT6 Q96LA8 7/20 0.42
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ PRMT8 Q9NR22 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ UBE2M P61081 4/20 0.39
▸ DCUN1D1 Q96GG9 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ VCP P55072 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ HTR2A P28223 1/20 0.37

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
SCHEMBL1873995 0.79 KMT2A (0.50) KMT2ACYP2D6CYP2C9CYP2C19RECQL
SCHEMBL29823211 0.79 KMT2A (0.50) KMT2ACYP2D6CYP2C9CYP2C19RECQL
SCHEMBL3877170 0.73 L3MBTL1 (0.37) KMT2ALMNA
SCHEMBL18658247 0.73 CARM1 (0.70) CARM1PRMT6ACHEBACE1KMT2A
SCHEMBL3389096 0.70 CYP2D6 (0.61) CYP2D6CYP2C9CYP2C19RECQLALDH1A1
SCHEMBL20492896 0.69 CARM1 (0.68) CARM1PRMT6ACHEBACE1KMT2A
SCHEMBL20492895 0.68 CARM1 (0.67) CARM1PRMT6ACHEBACE1KMT2A
SCHEMBL4428290 0.68 ALDH1A1 (0.53) KMT2ACYP2D6CYP2C9CYP2C19RECQL
SCHEMBL1882890 0.67 ALDH1A1 (0.44) KMT2ACYP2D6CYP2C9CYP2C19RECQL
SCHEMBL29823331 0.67 ALDH1A1 (0.44) KMT2ACYP2D6CYP2C9CYP2C19RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411918-A4 METHODS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC (CA) 2007-11-14 — — EP disclosed
EP-1411918-A2 METHODS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2004-04-28 — — EP disclosed
WO-2003011277-A2 METHODS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2003-02-13 — — WO disclosed
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