SCHEMBL9762547

SCHEMBL9762547

O=C(N(CCCCCCOCCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.53
MC4R P32245 1/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 4/20 0.41
ACHE P22303 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
MAPT P10636 1/20 0.39
FAAH O00519 3/20 0.39
CES1 P23141 3/20 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
SCHEMBL9763665 0.86 SNCA (0.44) KCNH2MC4RALDH1A1KMT2AACHE
SCHEMBL9762903 0.85 FAAH (0.42) MC4RFAAHCES1
SCHEMBL6957942 0.85 KCNH2 (0.64) KCNH2MC4RCRHBPCRHR2ALDH1A1
SCHEMBL6962369 0.85 KCNH2 (0.64) KCNH2MC4RCRHBPCRHR2ALDH1A1
SCHEMBL9763406 0.82 FAAH (0.46) MC4RFAAHCES1SIGMAR1
SCHEMBL6957148 0.81 CRHBP (0.65) KCNH2MC4RCRHBPCRHR2ALDH1A1
SCHEMBL9763073 0.81 FAAH (0.39) FAAHCES1
SCHEMBL9763575 0.81 SPHK1 (0.43) ALDH1A1FAAHCES1
SCHEMBL9763598 0.80 FFAR4 (0.43) HRH4HRH3SMN1; SMN2MAPT
SCHEMBL9762900 0.80 FAAH (0.38) HRH4HRH3FAAHCES1

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-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed
EP-0181709-B1 DICHLOROANILINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1990-05-09 EP disclosed
EP-0181709-A1 Dichloroaniline Derivatives GLAXO GROUP LIMITED (GB) 1986-05-21 EP disclosed