SCHEMBL27483348

SCHEMBL27483348

Clc1cc(C2C[CH]CCC2)ccc1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.42
▸ SLC6A4 P31645 5/20 0.42
▸ SLC6A3 Q01959 5/20 0.42
▸ KCNH2 Q12809 5/20 0.42
▸ CYP2D6 P10635 4/20 0.42
▸ CEL P19835 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ EBP Q15125 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ STING1 Q86WV6 1/20 0.31
▸ EPHX2 P34913 1/20 0.31

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 0.85 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL8331330 0.83 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3785820 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3784884 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3786279 0.75 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL434608 0.72 GAA (0.56) CELSIGMAR1TMEM97EBPGAA
SCHEMBL3787199 0.71 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL9751699 0.70 HTR2A (0.37) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL432639 0.70 GAA (0.58) CELGAATSHRAGTR1
SCHEMBL4331978 0.70 SLC6A2 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1226825-A Use of amines to produce drugs for preventing tumour cell proliferation SANOFI SA (FR) 1999-08-25 — — CN claimed
CN-1154483-C Use of amines to produce drugs for preventing tumour cell proliferation ��ŵ��-ʥ�������ɷ����޹�˾ 2004-06-23 — — CN disclosed
CN-1226825-A Use of amines to produce drugs for preventing tumour cell proliferation SANOFI SA (FR) 1999-08-25 — — CN disclosed
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