SCHEMBL27614744

SCHEMBL27614744

CCCN(C)c1ccc(Cl)cc1-n1nnc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.41
▸ SLC9A1 P19634 7/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ GRM2 Q14416 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP4Z1 Q86W10 1/20 0.35

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
SCHEMBL502853 0.72 KCNMA1 (0.67) KCNMA1SLC9A1TDP1TSHRSMN1; SMN2
SCHEMBL23762162 0.72 SLC9A1 (0.49) KCNMA1SLC9A1TDP1TSHRSMN1; SMN2
SCHEMBL21668428 0.69 KCNMA1 (0.47) KCNMA1SLC9A1TDP1TSHRSMN1; SMN2
SCHEMBL16856689 0.68 KCNMA1 (0.48) KCNMA1SLC9A1TDP1TSHRSMN1; SMN2
SCHEMBL21512532 0.67 KCNMA1 (0.50) KCNMA1SLC9A1TDP1TSHRSMN1; SMN2
SCHEMBL12202907 0.67 SMN1; SMN2 (0.41) KCNMA1SLC9A1TDP1TSHRSMN1; SMN2
SCHEMBL15426146 0.66 PKM (0.55) KCNMA1TDP1SMN1; SMN2KMT2ARAB9A
SCHEMBL11343969 0.66 ADORA3 (0.39) KCNMA1SLC9A1TSHRSMN1; SMN2CASP3
SCHEMBL18599169 0.66 KCNMA1 (0.55) KCNMA1SLC9A1TSHRSMN1; SMN2RAB9A
SCHEMBL23840194 0.65 KCNMA1 (0.64) KCNMA1SLC9A1TDP1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1639112-A Substituted amides having cannabinoid-1 receptor activity MERCK & CO INC (US) 2005-07-13 — — CN disclosed
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