SCHEMBL11517772

SCHEMBL11517772

CN(C)CCNC1CC(Cl)CC1N(C(=O)C1CC1Cl)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ FASN P49327 1/20 0.33
▸ TACR1 P25103 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ MALT1 Q9UDY8 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MTNR1A P48039 1/20 0.32

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
SCHEMBL11517299 1.00 KMT2A (0.34) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11516820 0.83 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11507044 0.83 KMT2A (0.35) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11506505 0.83 KMT2A (0.35) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11506506 0.83 KMT2A (0.35) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11520696 0.82 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11446751 0.79 SMN1; SMN2 (0.38) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11518232 0.77 KDM4E (0.38) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11521080 0.77 KDM4E (0.38) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11443828 0.75 SMN1; SMN2 (0.35) KMT2AMEN1ALDH1A1KDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148913-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-04-10 — — US claimed
US-4148913-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-04-10 — — US disclosed
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