SCHEMBL9670413

SCHEMBL9670413

BrCCCCCc1ccccn1

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 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP2C19 P33261 2/20 0.53
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
MAPT P10636 1/20 0.47
LIN28A Q9H9Z2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRM2 P08172 1/20 0.46
CYP2D6 P10635 1/20 0.44

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
SCHEMBL28136022 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL27915750 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL29263622 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL28260636 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL29031284 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL7007425 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL29145044 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL28347622 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL28669182 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL11447322 0.98 HRH1 (0.65) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108863917-A A kind of preparation method of 2,5- dimethoxy-pyridine 穆云 2018-11-23 CN disclosed
EP-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP disclosed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed
US-4341906-A ANALGESICS PFIZER INC. (US) 1982-07-27 US disclosed
US-4310669-A TETRALONE PFIZER INC. (US) 1982-01-12 US disclosed
US-4310529-A ANALGESICS PFIZER INC. (US) 1982-01-12 US disclosed
US-4310668-A Intermediates to 1,9-dihydroxyoctahydrophenanthrenes PFIZER INC. (US) 1982-01-12 US disclosed
US-4270005-A ANALGESICS PFIZER INC. (US) 1981-05-26 US disclosed
US-4268523-A ANALGESICS PFIZER INC. (US) 1981-05-19 US disclosed
US-4268692-A ANALGESICS PFIZER INC. (US) 1981-05-19 US disclosed
US-4237133-A ANALGESICS PFIZER INC. (US) 1980-12-02 US disclosed
US-4188495-A 1,9-Dihydroxyoctahydrophenanthrenes and intermediates therefor PFIZER INC. (US) 1980-02-12 US disclosed