SCHEMBL27353216

SCHEMBL27353216

CCC(C(=O)c1cc(-c2ccccc2)no1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ ADAM17 P78536 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ USP30 Q70CQ3 6/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9360426 0.99 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ASLC6A2SLC6A3SLC6A4
SCHEMBL9461390 0.82 RAB9A (0.46) SMN1; SMN2RAB9ASLC6A2MEN1KMT2A
SCHEMBL8880846 0.81 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AMEN1KMT2AMAPK1
SCHEMBL8781882 0.81 RAB9A (0.47) SMN1; SMN2RAB9ASLC6A2MEN1KMT2A
Hydrochloric Acid SCHEMBL8880546 0.80 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL8788681 0.80 RAB9A (0.46) SMN1; SMN2RAB9ASLC6A2MEN1KMT2A
SCHEMBL8880003 0.79 CHRM2 (0.48) SMN1; SMN2RAB9ASLC6A2MEN1KMT2A
Hydrochloric Acid SCHEMBL8882119 0.78 ALDH1A1 (0.48) SMN1; SMN2RAB9ASLC6A2MEN1KMT2A
SCHEMBL8879120 0.78 RAB9A (0.49) SMN1; SMN2RAB9AMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL8879845 0.77 RAB9A (0.48) SMN1; SMN2RAB9AMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1032001-C Process for preparing aminoketones MITSUI TOATSU CHEMICALS (JP) 1996-06-12 — — CN disclosed
CN-1113488-A Preparation process of aminoketones MITSUI TOATSU CHEMICALS (JP) 1995-12-20 — — CN disclosed
CN-1054596-A Process for preparing aminoketones MITSUI TOATSU CHEMICALS (JP) 1991-09-18 — — CN disclosed
Send feedback