SCHEMBL8555066

SCHEMBL8555066

O=[N+]([O-])c1ccc(NCC23CCCN2CCC3)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.45
AR P10275 3/20 0.45
RAB9A P51151 1/20 0.41
AKR1C4 P17516 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
MAPT P10636 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL8553639 0.93 TDP1 (0.44) CTSBARRAB9AMAPTTDP1
SCHEMBL8556050 0.88 CTSB (0.43) CTSBARAKR1C4AKR1C3AKR1C2
SCHEMBL8555791 0.85 MAPT (0.47) RAB9AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8554676 0.81 RAB9A (0.40) CTSBARRAB9AMAPTCYP1A2
SCHEMBL8554926 0.81 HSP90AA1 (0.42) RAB9AMAPTCYP3A4LMNATHRB
SCHEMBL9281848 0.78 MAPT (0.37) CTSBARMAPTNPSR1PKM
SCHEMBL8554050 0.78 RAB9A (0.42) RAB9AMAPTCYP3A4SMN1; SMN2LMNA
SCHEMBL8555439 0.76 RAB9A (0.38) CTSBARRAB9AMAPTSMN1; SMN2
SCHEMBL8556303 0.76 RAB9A (0.38) RAB9ALMNATHRBMEN1KMT2A
SCHEMBL8552830 0.75 RAB9A (0.37) RAB9ALMNATHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP claimed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US claimed
EP-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP disclosed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US disclosed
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed