SCHEMBL27597947

SCHEMBL27597947

B.NCc1ccc(P)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.55
▸ LOXL2 Q9Y4K0 7/20 0.52
▸ ABAT P80404 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.46
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ F10 P00742 1/20 0.42
▸ F11 P03951 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ ST14 Q9Y5Y6 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ PSIP1 O75475 1/20 0.39
▸ ADRB2 P07550 1/20 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
SCHEMBL16472531 0.97 — —
Hydrochloric Acid SCHEMBL28110057 0.94 HRH3 (0.55) HRH3LOXL2ABATTAAR1CA1
Hydrochloric Acid SCHEMBL27525172 0.94 HRH3 (0.55) HRH3LOXL2ABATTAAR1CA1
Water SCHEMBL28264730 0.94 HRH3 (0.55) HRH3LOXL2ABATTAAR1CA1
Bromide SCHEMBL27738733 0.94 HRH3 (0.55) HRH3LOXL2ABATTAAR1CA1
Naphthalene SCHEMBL28166813 0.85 LOXL2 (0.52) HRH3LOXL2ABATTAAR1CA1
SCHEMBL15828 0.80 HRH3 (0.79) HRH3LOXL2ABATTAAR1CA1
SCHEMBL27238704 0.80 HRH3 (0.79) HRH3LOXL2ABATTAAR1CA1
SCHEMBL27818801 0.78 LOXL2 (0.50) HRH3LOXL2ABATTAAR1F10
Iodide SCHEMBL29191162 0.77 HRH3 (0.73) HRH3LOXL2ABATTAAR1CA1

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
CN-107880075-A Rhodium catalyst and the method for preparing amines 武田药品工业株式会社 2018-04-06 — — CN disclosed
CN-104321330-B Rhodium catalyst and process for producing amine compound 武田药品工业株式会社 2017-12-08 — — CN disclosed
CN-104321330-A Rhodium catalyst and process for producing amine compound TAKEDA PHARMACEUTICAL 2015-01-28 — — CN disclosed
CN-101580518-B Process for preparing diphosphine compounds and intermediates useful in the process TAKEDA CHEMICAL INDUSTRIES LTD 2012-05-23 — — CN disclosed
CN-101580518-A Method for producing diphosphine compound and intermediate for producing the same TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2009-11-18 — — CN disclosed
CN-100519569-C Process for preparing diphosphine compounds and intermediates useful in the process TAKEDA PHARMACEUTICAL (JP) 2009-07-29 — — CN disclosed
CN-1617876-A Process for preparing diphosphine compounds and intermediates useful in the process TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-05-18 — — CN disclosed
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