SCHEMBL8499503

SCHEMBL8499503

[CH2]CCCCCCCCCCCCc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.67
NAAA Q02083 1/20 0.56
CYP1A2 P05177 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2C19 P33261 2/20 0.49
HRH3 Q9Y5N1 2/20 0.48
HRH4 Q9H3N8 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 1/20 0.47
CHRM2 P08172 1/20 0.46
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.42
LIN28A Q9H9Z2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL498601 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL2167965 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL2167104 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL7878429 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL16288588 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL498506 0.98 HRH1 (0.63) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL96246 0.92 HRH1 (0.60) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL2096007 0.90 HRH1 (0.56) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL4418086 0.89 HRH1 (0.80) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL2843489 0.89 HRH1 (0.80) HRH1NAAACYP1A2SMN1; SMN2CYP2C19

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
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed