Dimethylamine

Dimethylamine

SCHEMBL9041971

CCC(=O)c1cc(N2CCC(C)C2)ccc1N.CNC

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
IP6K1 Q92551 1/20 0.42
LGMN Q99538 2/20 0.41
GAA P10253 4/20 0.41
AVPR2 P30518 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.38
NR4A1 P22736 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDK2 Q15119 1/20 0.38
USP2 O75604 1/20 0.37
MCL1 Q07820 1/20 0.35
NOTUM Q6P988 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL17774941 0.82 GAA (0.51) SMN1; SMN2IP6K1LGMNGAAAVPR2
SCHEMBL9041963 0.79 IP6K1 (0.40) SMN1; SMN2IP6K1LGMNALDH1A1KDM4E
SCHEMBL6222765 0.76 IP6K1 (0.51) IP6K1LGMN
SCHEMBL9042190 0.76 KDM4E (0.55) IP6K1GAAALDH1A1KDM4EMAPT
SCHEMBL17774916 0.75 GAA (0.62) SMN1; SMN2IP6K1GAAAVPR2ALDH1A1
SCHEMBL7674084 0.74 IP6K1 (0.54) SMN1; SMN2IP6K1LGMNGAANPC1
SCHEMBL10209559 0.71 ALDH1A1 (0.46) LGMNGAAALDH1A1KDM4EMAPT
SCHEMBL12862353 0.71 ALDH1A1 (0.46) LGMNGAAALDH1A1KDM4EMAPT
SCHEMBL15096670 0.71 PDK2 (0.42) LGMNGAAAVPR2NPC1RAB9A
SCHEMBL13558242 0.69 USP2 (0.55) SMN1; SMN2GAANPC1RAB9AALDH1A1

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
EP-0471358-B1 Fluoroethylcamptothecin derivatives KYORIN SEIYAKU KK (JP) 1996-05-08 EP disclosed
EP-0471358-A1 Fluoroethylcamptothecin derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-02-19 EP disclosed