SCHEMBL10777907

SCHEMBL10777907

CCCN(CCC)C(=O)c1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.62
EGFR P00533 2/20 0.58
ERBB2 P04626 2/20 0.58
TP53 P04637 1/20 0.53
HPGD P15428 3/20 0.51
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LMNA P02545 5/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
MAOA P21397 2/20 0.47
CYP2D6 P10635 2/20 0.46
GAA P10253 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
DRD3 P35462 1/20 0.46
SCN1A P35498 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL9694832 0.90 MLYCD (0.72) MLYCDEGFRERBB2TP53HPGD
SCHEMBL10388616 0.89 EGFR (0.60) MLYCDEGFRERBB2HPGDHDAC1
SCHEMBL11711677 0.86 MAPT (0.54) MLYCDEGFRERBB2HPGDHDAC1
SCHEMBL18269325 0.86 MAPT (0.54) MLYCDEGFRERBB2HPGDHDAC1
SCHEMBL28278838 0.85 MLYCD (0.62) MLYCDEGFRERBB2TP53HPGD
SCHEMBL13846249 0.84 MLYCD (0.69) MLYCDEGFRERBB2TP53HPGD
SCHEMBL3081053 0.84 HPGD (0.61) MLYCDHPGDLMNACYP1A2CYP3A4
SCHEMBL4481559 0.84 LMNA (0.58) MLYCDEGFRERBB2HPGDLMNA
SCHEMBL5123550 0.83 NAMPT (0.48) MLYCDEGFRERBB2LMNACYP1A2
SCHEMBL14117677 0.82 CYP3A4 (0.43) MLYCDEGFRERBB2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078845-B1 ANTI-CONVULSANT CLARK, Charles Randall (US) 1987-02-04 EP claimed
EP-0078845-A4 ANTI-CONVULSANT. CLARK CHARLES RANDALL 1983-09-02 EP claimed
EP-0078845-A1 ANTI-CONVULSANT. CLARK CHARLES RANDALL 1983-05-18 EP claimed
US-4379165-A Anti-convulsant RESEARCH CORPORATION (US) 1983-04-05 US claimed
WO-1982004046-A1 ANTI-CONVULSANT CLARK CHARLES RANDALL 1982-11-25 WO claimed
EP-0078845-B1 ANTI-CONVULSANT CLARK, Charles Randall (US) 1987-02-04 EP disclosed
US-4425327-A Method of suppressing body odor with aminobenzoic acid amides HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1984-01-10 US disclosed
EP-0078845-A4 ANTI-CONVULSANT. CLARK CHARLES RANDALL 1983-09-02 EP disclosed
EP-0078845-A1 ANTI-CONVULSANT. CLARK CHARLES RANDALL 1983-05-18 EP disclosed
US-4379165-A Anti-convulsant RESEARCH CORPORATION (US) 1983-04-05 US disclosed
WO-1982004046-A1 ANTI-CONVULSANT CLARK CHARLES RANDALL 1982-11-25 WO disclosed