SCHEMBL5070892

SCHEMBL5070892

CCN(C)[C@@H](C)c1cccc(N(C)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.46
BCHE P06276 11/20 0.46
FAAH O00519 1/20 0.46
MARK4 Q96L34 1/20 0.43
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ALOX5 P09917 1/20 0.35
TACR1 P25103 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
SCHEMBL3629562 0.88 ACHE (0.51) ACHEBCHEFAAHMARK4CHRNB2
SCHEMBL11317482 0.82 HDAC4 (0.50) ACHEBCHEFAAHALDH1A1TSHR
SCHEMBL3937417 0.81 RXRA (0.46) ALDH1A1CRHBPCRHR2TACR1
SCHEMBL5801482 0.80 CCR5 (0.38) ALDH1A1GLATSHRCRHBPCRHR2
SCHEMBL3891099 0.79 ACHE (0.52) ACHEBCHEFAAHMARK4ALDH1A1
SCHEMBL9623343 0.79 HDAC4 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL11186048 0.78 KMT2A (0.37) ACHEALDH1A1CRHBPCRHR2ALOX5
SCHEMBL13310383 0.74 OPRM1 (0.54) ACHEBCHEFAAHMARK4ALDH1A1
SCHEMBL16103420 0.74 ACHE (0.47) ACHEBCHEFAAHMARK4ALDH1A1
SCHEMBL3626766 0.74 ACHE (0.47) ACHEBCHEFAAHMARK4ALDH1A1

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-1939172-B1 METHOD OF OBTAINING PHENYL CARBAMATES INTERQUIM SA (ES) 2012-07-11 EP disclosed
EP-1939172-A2 METHOD OF OBTAINING PHENYL CARBAMATES Interquim, S.A. (ES) 2008-07-02 EP disclosed