SCHEMBL6426367

SCHEMBL6426367

CNC1(c2ccccc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
OPRM1 P35372 5/20 0.42
OPRL1 P41146 5/20 0.42
OPRK1 P41145 2/20 0.42
OPRD1 P41143 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ACHE P22303 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
GAA P10253 1/20 0.34
PDK2 Q15119 1/20 0.34

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
Hydrochloric Acid SCHEMBL28673918 0.98 HDAC6 (0.42) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL11559606 0.86 HDAC4 (0.41) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL27775253 0.86 NR1D1 (0.45) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL24776640 0.84 HDAC4 (0.46) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL24776645 0.81 HDAC6 (0.43) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL3716482 0.79 HTR2A (0.43) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL14618818 0.77 HDAC4 (0.44) HDAC4HDAC6HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL28931840 0.77 HDAC6 (0.40) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL18461009 0.75 OPRM1 (0.42) OPRM1OPRL1OPRK1SLC6A4
SCHEMBL22621773 0.75 OPRM1 (0.42) OPRM1OPRL1OPRK1SLC6A4TAAR1

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
WO-2019179928-A1 SUBSTITUTED SUCCINIMIDE-3-CARBOXAMIDES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-26 WO disclosed
WO-2005007614-A1 MONOAMINE OXIDASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 6011 (US) 2005-01-27 WO disclosed