SCHEMBL30367647

SCHEMBL30367647

Nc1nc2ccccc2cc1OCCCN1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.63
ACP1 P24666 1/20 0.61
EHMT2 Q96KQ7 3/20 0.57
EHMT1 Q9H9B1 3/20 0.57
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HRH3 Q9Y5N1 4/20 0.49
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.49
HTR6 P50406 2/20 0.49

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
SCHEMBL29566096 0.79 EHMT2 (0.70) ACP1EHMT2EHMT1
SCHEMBL29565764 0.78 EHMT2 (0.57) ACP1EHMT2EHMT1CYP2D6CYP2C19
SCHEMBL2952575 0.77 TLR8 (1.00) TLR8CYP2C19
SCHEMBL23412112 0.77 TLR8 (0.74) TLR8
SCHEMBL23412189 0.77 TLR8 (0.74) TLR8
SCHEMBL10809994 0.76 HRH3 (0.64) HRH3
SCHEMBL16836385 0.76 TLR8 (1.00) TLR8
SCHEMBL16836411 0.76 TLR8 (1.00) TLR8
SCHEMBL28825618 0.75 TLR8 (0.56) TLR8EHMT2EHMT1CYP2C19HRH3
SCHEMBL16836294 0.75 TLR8 (1.00) TLR8

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
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed