SCHEMBL20821476

SCHEMBL20821476

CC(C)(F)CC(N)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.59
▸ ANPEP P15144 1/20 0.52
▸ SLC6A2 P23975 3/20 0.50
▸ TAAR1 Q96RJ0 3/20 0.50
▸ MAOA P21397 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ CYP2D6 P10635 1/20 0.47
▸ SCN4A P35499 2/20 0.44
▸ TACR1 P25103 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ XIAP P98170 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.41

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
SCHEMBL20992605 0.84 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL13227777 0.84 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL15250377 0.84 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL16736185 0.84 EPHX1 (0.53) EPHX1ANPEPSLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL5388289 0.82 EPHX1 (0.61) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL24312629 0.81 EPHX1 (0.59) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL22296302 0.78 SIGMAR1 (0.47) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL17728729 0.77 EPHX1 (0.53) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL17728727 0.77 EPHX1 (0.53) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL28656 0.76 EPHX1 (1.00) EPHX1ANPEPSLC6A2TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019052930-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2019-03-21 — — WO disclosed
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