SCHEMBL27726704

SCHEMBL27726704

O=CC1CCCN(c2ccccc2)N1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.44
▸ G6PD P11413 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MBTD1 Q05BQ5 1/20 0.34
▸ L3MBTL3 Q96JM7 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33

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
SCHEMBL27671224 0.90 ALOX5 (0.41) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL27873899 0.74 SLC6A2 (0.38) ALOX5
SCHEMBL28103270 0.73 ALDH1A1 (0.34) ALOX15GAA
SCHEMBL27873898 0.73 NOTUM (0.36) ALOX15GAANOTUM
SCHEMBL28103547 0.73 ADRB2 (0.41) —
SCHEMBL27380663 0.73 ALOX5 (0.44) ALOX5HTR3EHTR3BADRB1HTR3A
SCHEMBL27743313 0.73 ALOX5 (0.48) ALOX5ALOX12HTR3EHTR3BADRB1
SCHEMBL28063442 0.72 CHRNB2 (0.43) —
SCHEMBL27873897 0.72 ALOX5 (0.47) ALOX5L3MBTL1GAAKMT2A
SCHEMBL28103276 0.71 KDM4E (0.39) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101443323-A Substituted spirocyclic CGRP receptor antagonists MERCK & CO INC (US) 2009-05-27 — — CN disclosed
CN-101193622-A Method and composition for treating inflammatory disorders BIOLIPOX AB (SE) 2008-06-04 — — CN disclosed
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