SCHEMBL7315840

SCHEMBL7315840

O=C(Cl)C1CC1c1ccc(C2CCCCC2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.38
SLC9A1 P19634 1/20 0.37
KMO O15229 1/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.36
PTGDR Q13258 3/20 0.36
PTGER2 P43116 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
STING1 Q86WV6 1/20 0.36
FFAR2 O15552 1/20 0.36
NSD2 O96028 1/20 0.35
NSD1 Q96L73 1/20 0.35
NSD3 Q9BZ95 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
HPSE Q9Y251 1/20 0.35
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL7312887 0.90 FFAR1 (0.44) CELSLC9A1KMOPTGDR2PTGDR
Hydrochloric Acid SCHEMBL7315858 0.89 FFAR1 (0.43) CELKMOPTGDR2PTGDRPTGER2
SCHEMBL7346168 0.84 OPRL1 (0.38) SLC9A1KMOPTGDR2ACMSDSIGMAR1
SCHEMBL7322549 0.84 SIGMAR1 (0.48) SIGMAR1
SCHEMBL7320685 0.82 SIGMAR1 (0.42) PTGDR2PTGDRPTGER2SIGMAR1TMEM97
SCHEMBL7319301 0.81 HPGD (0.34) SLC9A1KMOCYP2D6SLC6A2SLC6A4
SCHEMBL7319063 0.81 HRH3 (0.44) SIGMAR1
SCHEMBL7321503 0.80 SLC18A3 (0.42) SLC9A1KMO
SCHEMBL7317851 0.80 HDAC8 (0.46) SLC9A1KMOACMSDSIGMAR1
SCHEMBL7324009 0.80 SIGMAR1 (0.44) SLC6A2SLC6A4SIGMAR1TMEM97EBP

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-1154483-C Use of amines to produce drugs for preventing tumour cell proliferation ��ŵ��-ʥ�������ɷ����޹�˾ 2004-06-23 CN disclosed
US-6235791-B1 USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE SANOFI-SYNTHELABO (FR) 2001-05-22 US disclosed
CN-1226825-A Use of amines to produce drugs for preventing tumour cell proliferation SANOFI SA (FR) 1999-08-25 CN disclosed