SCHEMBL6207015

SCHEMBL6207015

CNCC(c1ccc(Cl)c(Cl)c1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.46
SLC6A3 Q01959 9/20 0.46
SLC6A4 P31645 8/20 0.46
KCNH2 Q12809 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
SIGMAR1 Q99720 2/20 0.46
SLC18A3 Q16572 1/20 0.46
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
TACR1 P25103 4/20 0.43
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6206654 0.84 CARM1 (0.50) SLC6A2SLC6A3SLC6A4KCNH2CYP3A4
SCHEMBL8124448 0.80 MCHR1 (0.54) CARM1PRMT6
SCHEMBL8784212 0.79 TACR1 (0.64) SLC6A2SLC6A3SLC6A4CYP3A4CYP2D6
SCHEMBL6208623 0.77 OPRL1 (0.54) SLC6A2SLC6A3SLC6A4KCNH2CYP3A4
SCHEMBL6231530 0.72 SLC6A3 (0.48) SLC6A2SLC6A3SLC6A4KCNH2CYP3A4
SCHEMBL20246717 0.71 SIGMAR1 (0.47) CYP3A4CYP2D6SIGMAR1CARM1PRMT6
SCHEMBL9521516 0.69 SLC18A3 (0.54) KCNH2SLC18A3CARM1PRMT6
SCHEMBL8119861 0.68 MCHR1 (0.63)
SCHEMBL4773230 0.68 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4KCNH2SIGMAR1
SCHEMBL9523741 0.67 OPRM1 (0.55) SLC6A4KCNH2SLC18A3CARM1PRMT6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709375-B1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
US-6147083-A NOVEL SUBSTITUTED 1,2-ETHANEDIAMINE DERIVATIVES WHICH ANTAGONIZE THE PHARMACOLOGICAL ACTIONS OF THE ENDOGENOUS NEUROPEPTIDE TACHYKININS KNOWN AS NEUROKININS, USEFUL FOR THE TREATMENT OF ASTHMA, ETC. ZENECA LIMITED (GB) 2000-11-14 US disclosed
US-5998444-A ANTIASTHMA AGENTS; NEUROKININ ANTAGONIST ZENECA LTD. (GB) 1999-12-07 US disclosed
US-5710169-A NEUROKININ ANTAGONISTS; ANTIHISTAMINES, BRONCHODILATOR AGENTS; ASTHMA ZENECA LIMITED (GB) 1998-01-20 US disclosed
EP-0709375-A2 Therapeutic heterocycles ZENECA LIMITED (GB) 1996-05-01 EP disclosed