SCHEMBL170904

SCHEMBL170904

CC[C@H](NC)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.50
EPHX1 P07099 2/20 0.34
KDM4E B2RXH2 3/20 0.33
TP53 P04637 1/20 0.31
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1870619 1.00 SHBG (0.50) SHBGEPHX1KDM4ETP53GMNN
SCHEMBL24351545 0.97
SCHEMBL1864078 0.97 SHBG (0.54) SHBGEPHX1KDM4ETP53GMNN
SCHEMBL26404681 0.97 SHBG (0.54) SHBGEPHX1KDM4ETP53GMNN
SCHEMBL27663102 0.92
SCHEMBL11915409 0.92
SCHEMBL24201428 0.83 SHBG (0.34) SHBG
SCHEMBL21942855 0.81 SHBG (0.43) SHBGEPHX1
SCHEMBL13070487 0.80 SHBG (0.46) SHBGEPHX1KDM4E
SCHEMBL25764901 0.80 SHBG (0.41) SHBGEPHX1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed