SCHEMBL2334074

SCHEMBL2334074

O=C1CC(c2ccccc2)CCN1Cc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
TACR1 P25103 1/20 0.43
PRKG1 Q13976 2/20 0.42
ALOX15 P16050 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2B P41595 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IP6K1 Q92551 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NLRP3 Q96P20 1/20 0.37
PDE5A O76074 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2232158 0.88 HPGD (0.60) HPGDTSHRALOX15CHRM2CHRM4
SCHEMBL2338174 0.81 SRD5A1 (0.47) HPGDTSHRTACR1PRKG1ALOX15
SCHEMBL27396701 0.79 ALOX15 (0.61) TACR1PRKG1ALOX15KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8569868 0.78 ALOX15 (0.59) TACR1PRKG1ALOX15KDM4EALDH1A1
SCHEMBL2231867 0.74 HPGD (0.44) HPGDTSHRALDH1A1NLRP3
SCHEMBL11123316 0.73 HPGD (0.53) HPGDTSHRPRMT5WDR77CHRM2
SCHEMBL3038179 0.73 HPGD (0.56) HPGDTSHRPRMT5WDR77CHRM2
SCHEMBL3048725 0.73 PRMT5 (0.54) HPGDTSHRPRMT5WDR77CHRM2
SCHEMBL2360299 0.71 HCRTR1 (0.44) HPGDTSHRPRMT5WDR77CHRM2
SCHEMBL14171910 0.71 PDE5A (0.40) TACR1PRKG1ALOX15HTR2BTAAR1

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-2533645-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2012-12-19 EP disclosed
WO-2011100373-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-18 WO disclosed