SCHEMBL20053307

SCHEMBL20053307

CCCCCC(CCCC#N)CCCCC

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
LMNA P02545 1/20 0.46
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
DNM1 Q05193 2/20 0.35
CYP3A4 P08684 1/20 0.34
FDPS P14324 2/20 0.33
THRB P10828 1/20 0.33
GPR84 Q9NQS5 2/20 0.32

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
SCHEMBL18723237 0.98 TSHR (0.59) TSHRLMNAOPRM1ALDH1A1TDP1
SCHEMBL18723189 0.98 TSHR (0.59) TSHRLMNAOPRM1ALDH1A1TDP1
SCHEMBL7765607 0.93 TSHR (0.54) TSHRLMNAOPRM1DNM1FDPS
SCHEMBL7761911 0.93 TSHR (0.54) TSHRLMNAOPRM1DNM1FDPS
SCHEMBL18723240 0.93 TSHR (0.59) TSHRLMNAOPRM1DNM1THRB
SCHEMBL24919784 0.91 TSHR (0.56) TSHRLMNAOPRM1ALDH1A1DNM1
SCHEMBL20869954 0.91 TSHR (0.56) TSHRLMNAOPRM1ALDH1A1DNM1
SCHEMBL18638734 0.91 TSHR (0.56) TSHRLMNAALDH1A1TDP1DNM1
SCHEMBL19649667 0.88 TSHR (0.52) TSHRLMNAALDH1A1TDP1
SCHEMBL17970381 0.88 TSHR (0.59) TSHRLMNAALDH1A1TDP1DNM1

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
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed