SCHEMBL6007347

SCHEMBL6007347

COc1ccc(C(=O)C2CCN(CC(N)Cc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC18A3 Q16572 8/20 0.53
POLB P06746 3/20 0.50
DRD2 P14416 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
KCNH2 Q12809 1/20 0.48
NMT2 O60551 1/20 0.47
NMT1 P30419 1/20 0.47

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
SCHEMBL6007922 0.89 SLC18A3 (0.57) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL6007909 0.86 MGLL (0.54) MGLLMEN1KMT2ADRD2KCNH2
SCHEMBL6009245 0.86 MGLL (0.54) MGLLMEN1KMT2ALMNADRD2
SCHEMBL6009354 0.83 KCNH2 (0.61) MGLLMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5790728 0.81 MGLL (0.59) MGLLMEN1KMT2ALMNATSHR
Hydrochloric Acid SCHEMBL7229019 0.79 MGLL (0.53) MGLLMEN1KMT2ALMNAKCNH2
Hydrochloric Acid SCHEMBL3839088 0.79 MGLL (0.53) MGLLMEN1KMT2ALMNAKCNH2
Hydrochloric Acid SCHEMBL3839082 0.79 MGLL (0.53) MGLLMEN1KMT2ALMNAKCNH2
Hydrochloric Acid SCHEMBL6992831 0.79 MGLL (0.53) MGLLMEN1KMT2ALMNAKCNH2
SCHEMBL6007356 0.77 HTR2A (0.61) MEN1KMT2ALMNAKCNH2

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