SCHEMBL8331330

SCHEMBL8331330

Clc1cc(C2CC2)ccc1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ KCNH2 Q12809 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CEL P19835 2/20 0.43
▸ KMO O15229 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ EBP Q15125 1/20 0.42
▸ ACMSD Q8TDX5 2/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL3786167 0.98 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3785820 0.96 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3784884 0.92 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3786279 0.92 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL27483348 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3787199 0.82 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4331978 0.82 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL434608 0.80 GAA (0.56) CELSIGMAR1TMEM97EBPGAA
SCHEMBL3792713 0.80 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL15335800 0.79 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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
EP-0917464-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1999-05-26 — — EP disclosed
WO-1998004251-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1998-02-05 — — WO disclosed
Send feedback