SCHEMBL9493787

SCHEMBL9493787

OCC(O)CN1CCCNCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
ATM Q13315 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CXCR4 P61073 7/20 0.46
RAD52 P43351 1/20 0.43
ADRA2C P18825 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CCR2 P41597 1/20 0.41
CXCL12 P48061 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
BAX Q07812 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4400918 0.92 MAPT (0.64) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL16908299 0.92 MAPT (0.64) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL1361161 0.92 MAPT (0.64) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL14034485 0.90 MAPT (0.61) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL10696876 0.90 MAPT (0.61) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL15553304 0.90 MAPT (0.61) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL21757993 0.90 MAPT (0.61) MAPTATMSMN1; SMN2MEN1KMT2A
Piperidine SCHEMBL4181536 0.89 ATM (0.73) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL20307045 0.86 MEN1 (0.68) MAPTATMSMN1; SMN2MEN1KMT2A
SCHEMBL7575576 0.83 SMN1; SMN2 (0.47) MAPTATMSMN1; SMN2MEN1KMT2A

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
EP-0230402-B1 PHARMACOLOGICALLY ACTIVE ALKYLOL DERIVATIVES DOMPE' FARMACEUTICI S.p.A. (IT) 1993-04-21 EP disclosed
US-4849422-A PIPERAZINE-SUBSTITUTED, ANTITUSSIVE DOMPE' FARMACEUTICI S.P.A. (IT) 1989-07-18 US disclosed
EP-0230402-A2 Pharmacologically active alkylol derivatives DOMPE' FARMACEUTICI S.p.A. (IT) 1987-07-29 EP disclosed