SCHEMBL7361028

SCHEMBL7361028

O=C(CCc1ccccc1)c1cccnc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.57
DAGLA Q9Y4D2 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
CYP19A1 P11511 1/20 0.46
ABCB1 P08183 3/20 0.46
KCNH2 Q12809 1/20 0.46
FAAH O00519 1/20 0.46
KEAP1 Q14145 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46

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
SCHEMBL7548755 0.89 NAPRT (0.51) NAPRTKDM4EMAPTCTNNB1WNT3A
SCHEMBL7371695 0.84 NAPRT (0.61) NAPRTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7367839 0.82 NAPRT (0.44) NAPRTDAGLACTNNB1WNT3ACYP19A1
SCHEMBL557803 0.78 RAB9A (0.67) NAPRTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7355212 0.77 DHODH (0.66) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7369624 0.77 KMT2A (0.57) ALDH1A1KMT2ATDP1
SCHEMBL7455572 0.76 NAPRT (0.63) NAPRTSMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL7679848 0.75 NAPRT (0.57) NAPRTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3962348 0.75 NAPRT (0.61) NAPRTSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL2409306 0.75 NAPRT (0.61) NAPRTSMN1; SMN2NPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104420-B1 SUBSTITUTED 1,8-NAPHTHYRIDIN-4(1H)-ONES AS PHOSPHODIESTERASE 4 INHIBITORS PFIZER PROD INC (US) 2002-12-18 EP disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-1104420-A1 SUBSTITUTED 1,8-NAPHTHYRIDIN-4(1H)-ONES AS PHOSPHODIESTERASE 4 INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
US-6174895-B1 USEFUL IN TREATMENT OF RESPIRATORY, ALLERGIC, RHEUMATOID, BODY WEIGHT REGULATION, INFLAMMATORY AND CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ADULT RESPIRATORY DISEASES SYNDROME, FIBROSIS PFIZER INC. 2001-01-16 US disclosed
WO-2000009504-A1 SUBSTITUTED 1,8-NAPHTHYRIDIN-4(1H)-ONES AS PHOSPHODIESTERASE 4 INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed