SCHEMBL6954552

SCHEMBL6954552

O=C(CCn1ccnc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 3/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CTNNB1 P35222 1/20 0.47
▸ WNT3A P56704 1/20 0.47
▸ CES2 O00748 1/20 0.47
▸ EGLN3 Q9H6Z9 1/20 0.46
▸ NOS1 P29475 3/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ CYP19A1 P11511 2/20 0.43
▸ ALPI P09923 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PLAA Q9Y263 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11236967 0.87 ALPG (0.58) NPC1RAB9ACES2KMT2ACYP11B1
SCHEMBL6948630 0.84 NOS1 (0.56) TBXAS1NPC1EGLN3NOS1CYP19A1
SCHEMBL3255191 0.80 TBXAS1 (0.78) TBXAS1EGLN3CYP19A1
Hydrochloric Acid SCHEMBL411527 0.78 TBXAS1 (0.76) TBXAS1EGLN3MEN1KMT2ACYP19A1
SCHEMBL10922846 0.78 KDM4E (0.52) NPC1RAB9ACTNNB1WNT3ACES2
SCHEMBL6943246 0.77 TBXAS1 (0.62) TBXAS1NPC1NOS1
SCHEMBL6954221 0.76 TBXA2R (0.43) TBXAS1NOS1MEN1KMT2A
SCHEMBL6948566 0.76 TBXAS1 (0.68) TBXAS1NPC1NOS1
SCHEMBL11253238 0.75 TBXAS1 (0.56) TBXAS1NPC1RAB9AEGLN3KMT2A
Hydrochloric Acid SCHEMBL6949053 0.75 TBXA2R (0.42) TBXAS1NOS1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709378-B1 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds AVENTIS PHARMA INC (US) 2003-03-19 — — EP disclosed
US-5770740-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1998-06-23 — — US disclosed
US-5696142-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-12-09 — — US disclosed
US-5686447-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 — — US disclosed
US-5686483-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 — — US disclosed
US-5686446-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 — — US disclosed
US-5684021-A Aminoalkyloximes for treating depression and affective disorders HOECHST MARION ROUSSEL, INC. (US) 1997-11-04 — — US disclosed
US-5665756-A Aminoalkyloximes useful in the treatment of depression and obsessive compulsive disorders HOECHST MARION ROUSSEL, INC. (US) 1997-09-09 — — US disclosed
US-5648367-A ANTIDEPRESANTS, OBSESSIVE-COMPULSIVE DISORDER HOECHST MARION ROUSSEL, INC. (US) 1997-07-15 — — US disclosed
EP-0709378-A2 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-05-01 — — EP disclosed
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