SCHEMBL6743664

SCHEMBL6743664

CCN1CCCC(O)(c2ccccc2C(S)c2cccc3ccccc23)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SLC6A3 Q01959 8/20 0.34
SLC6A4 P31645 8/20 0.34
SLC6A2 P23975 6/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CBX7 O95931 1/20 0.32
CDY1; CDY1B Q9Y6F8 1/20 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
Formic Acid SCHEMBL4911299 0.95 KDM4E (0.33) TSHRSLC6A3SLC6A4SLC6A2KMT2A
SCHEMBL6743192 0.78 OPRM1 (0.39) TSHRSLC6A3SLC6A4SLC6A2KMT2A
SCHEMBL4818176 0.75 MAPT (0.35) TSHRKDM4EALDH1A1HSD17B10TMEM97
Formic Acid SCHEMBL4911312 0.72 SMN1; SMN2 (0.35) TSHRKMT2AKDM4EALDH1A1HSD17B10
SCHEMBL6742634 0.71 SLC6A4 (0.51) TSHRSLC6A3SLC6A4SLC6A2KMT2A
SCHEMBL9046812 0.71 KDM4E (0.51) TSHRKMT2AKDM4EALDH1A1HSD17B10
SCHEMBL11224937 0.69 DRD3 (0.43) KDM4EDRD2DRD4DRD3
SCHEMBL10643008 0.69 OPRL1 (0.47) KMT2AKDM4ESIGMAR1DRD2DRD4
Hydrochloric Acid SCHEMBL10652811 0.68 POLB (0.49) KMT2AKDM4ESIGMAR1DRD2DRD4
SCHEMBL12434732 0.64 L3MBTL1 (0.56) TSHRKDM4EALDH1A1HSD17B10

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