SCHEMBL7346168

SCHEMBL7346168

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.38
SLC9A1 P19634 1/20 0.38
KDM1A O60341 2/20 0.37
MAOA P21397 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
KMO O15229 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ACMSD Q8TDX5 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
APP P05067 1/20 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
SCHEMBL7311176 0.89 KMO (0.42) OPRL1SLC9A1KDM1AMAOASIGMAR1
Hydrochloric Acid SCHEMBL7346188 0.88 KMO (0.41) OPRL1SLC9A1KDM1AMAOASIGMAR1
SCHEMBL7315840 0.84 CEL (0.38) SLC9A1SIGMAR1KMOPTGDR2ACMSD
SCHEMBL7321503 0.79 SLC18A3 (0.42) SLC9A1KMO
SCHEMBL7317851 0.79 HDAC8 (0.46) SLC9A1SIGMAR1KMOACMSD
SCHEMBL814567 0.79 SLC9A1 (0.48) SLC9A1KDM1A
SCHEMBL247915 0.79 SLC9A1 (0.48) SLC9A1KDM1A
SCHEMBL7323738 0.79 CYP1A2 (0.40) CYP3A4
SCHEMBL8328994 0.75 OPRL1 (0.46) OPRL1KMOACMSDCYP3A4CYP2C9
SCHEMBL7312887 0.75 FFAR1 (0.44) SLC9A1KMOPTGDR2ACMSD

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