SCHEMBL2545537

SCHEMBL2545537

NCc1ccc(N)cc1.NCc1ccc(N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 6/20 1.00
▸ GFER P55789 1/20 0.61
▸ HRH3 Q9Y5N1 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ ABAT P80404 1/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MAOB P27338 3/20 0.50
▸ MAOA P21397 2/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ CYP19A1 P11511 1/20 0.48
▸ F10 P00742 1/20 0.46
▸ F11 P03951 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
SCHEMBL76433 1.00 — —
Hydrochloric Acid SCHEMBL10796330 0.97 LOXL2 (0.94) LOXL2GFERHRH3ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3171444 0.97 LOXL2 (0.94) LOXL2GFERHRH3ALDH1A1CYP3A4
SCHEMBL3787138 0.91 LOXL2 (0.83) LOXL2GFERHRH3ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL31716096 0.89 LOXL2 (0.79) LOXL2GFERHRH3ALDH1A1CYP3A4
SCHEMBL15828 0.86 HRH3 (0.79) LOXL2HRH3ABATMAPTTAAR1
Benzylamine SCHEMBL23044693 0.85 LOXL2 (0.78) LOXL2CYP3A4TSHRTDP1MAPT
SCHEMBL12634637 0.84 LOXL2 (0.71) LOXL2GFERALDH1A1CYP3A4TSHR
Sulfuric Acid SCHEMBL2925225 0.84 LOXL2 (0.71) LOXL2GFERHRH3ALDH1A1CYP3A4
SCHEMBL10537796 0.84 LOXL2 (0.71) LOXL2GFERHRH3ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9168316-B2 Methods for treating obesity GU YANSONG (US) 2015-10-27 — — US claimed
US-20140322136-A1 METHODS FOR TREATING OBESITY GU YANSONG (US) 2014-10-30 — — US claimed
US-20110262362-A1 METHODS FOR TREATING OBESITY GU YANSONG 2011-10-27 — — US claimed
WO-2010042868-A2 METHODS FOR TREATING OBESITY UNIVERSITY OF WASHINGTON (US) 2010-04-15 — — WO claimed
US-9168316-B2 Methods for treating obesity GU YANSONG (US) 2015-10-27 — — US disclosed
US-8980852-B2 Methods for treating obesity GU YANSONG (US) 2015-03-17 — — US disclosed
US-20140322136-A1 METHODS FOR TREATING OBESITY GU YANSONG (US) 2014-10-30 — — US disclosed
US-20110262362-A1 METHODS FOR TREATING OBESITY GU YANSONG 2011-10-27 — — US disclosed
WO-2010042868-A2 METHODS FOR TREATING OBESITY UNIVERSITY OF WASHINGTON (US) 2010-04-15 — — WO disclosed
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