SCHEMBL6743413

SCHEMBL6743413

COc1ccc(Br)cc1CSc1cc2ccccc2nc1N1CCC(N2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 7/20 0.44
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPV6 Q9H1D0 1/20 0.39
TSHR P16473 1/20 0.38
CCR3 P51677 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
OPRK1 P41145 1/20 0.38
MC4R P32245 2/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL4820254 0.88 MAPT (0.48) CCR4KDM4ETDP1TSHR
SCHEMBL14027623 0.87 GAA (0.47) CCR4KDM4ETDP1TSHR
SCHEMBL4902897 0.84 TSHR (0.39) KDM4ETDP1TSHRMC4R
SCHEMBL14027639 0.81 MAPT (0.46) CCR4KDM4ETDP1TRPV6TSHR
SCHEMBL4824654 0.79 KDM4E (0.44) CCR4KDM4ETDP1HRH3OPRK1
SCHEMBL6746817 0.79 KDM4E (0.57) KDM4ETDP1TRPV6TSHR
SCHEMBL14027596 0.73 TRPV6 (0.54) KDM4ETDP1TRPV6TSHR
SCHEMBL14027221 0.73 TRPV6 (0.54) KDM4ETDP1TRPV6TSHR
SCHEMBL4913342 0.73 ACP1 (0.44) KDM4ETSHRHRH3MC4R
SCHEMBL6745111 0.73 GAA (0.44) TSHR

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-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US disclosed