SCHEMBL6007922

SCHEMBL6007922

COc1ccc(C(=O)C2CCN(CC(N)Cc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.57
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.50
HTR2A P28223 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL6007347 0.89 MGLL (0.59) SLC18A3LMNATSHRSMN1; SMN2POLB
SCHEMBL6007356 0.89 HTR2A (0.61) LMNAKMT2AMEN1HTR2AKCNH2
SCHEMBL3838692 0.85 HTR2A (0.61) SLC18A3LMNASMN1; SMN2HTR2A
SCHEMBL6009245 0.85 MGLL (0.54) LMNAKMT2AMEN1HTR2AKCNH2
SCHEMBL3838687 0.85 HTR2A (0.61) SLC18A3LMNASMN1; SMN2HTR2A
SCHEMBL3838690 0.85 HTR2A (0.61) SLC18A3LMNASMN1; SMN2HTR2A
SCHEMBL6007451 0.85 MEN1 (0.57) KMT2AMEN1HTR2AKCNH2
SCHEMBL30516673 0.83 SLC18A3 (0.74) SLC18A3LMNATSHRSMN1; SMN2POLB
SCHEMBL6007909 0.81 MGLL (0.54) KMT2AMEN1HTR2AKCNH2
SCHEMBL10340077 0.81 HTR2A (0.76) SLC18A3HTR2AKCNH2

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-7078537-B2 Phenylalkyl diamine and amide analogs SK CORPORATION (KR) 2006-07-18 US claimed
US-7078537-B2 Phenylalkyl diamine and amide analogs SK CORPORATION (KR) 2006-07-18 US disclosed