SCHEMBL11229784

SCHEMBL11229784

Cc1ccc2c(c1)C(Cc1ccncc1)C=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL11224804 0.88 HTR6 (0.41) HTR6SMN1; SMN2LMNAHTTGAA
Hydrochloric Acid SCHEMBL11220602 0.87 HTR6 (0.40) HTR6SMN1; SMN2LMNAHTTGAA
SCHEMBL11220623 0.81 CYP19A1 (0.49) HTR6SMN1; SMN2KDM4EMAPTHDAC3
SCHEMBL11235389 0.78 HTR6 (0.66) HTR6HDAC3HDAC1HDAC7HDAC2
SCHEMBL6439357 0.77 HTR6 (0.32) HTR6
Hydrochloric Acid SCHEMBL11233156 0.76 HTR6 (0.64) HTR6SMN1; SMN2KDM4EHDAC3HDAC1
SCHEMBL11238731 0.76 HTR6 (0.41) HTR6SMN1; SMN2LMNAHTTMAPT
SCHEMBL9144106 0.75 HTR1A (0.33) HTR6
SCHEMBL8770362 0.74 TRPA1 (0.30) HTR6
SCHEMBL9145501 0.72

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
US-4357337-A PIPERIDINYLALKYL DERIVATIVES PHARMINDUSTRIE (FR) 1982-11-02 US disclosed