SCHEMBL8113115

SCHEMBL8113115

O=C1CN(S(=O)(=O)c2ccc3cc(O)ccc3c2)CCN1CC1CCN(c2ccncc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.50
TPSAB1 Q15661 1/20 0.45
LSS P48449 2/20 0.41
ATM Q13315 1/20 0.40
CHRM1 P11229 2/20 0.40
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL8114940 0.91 TPSAB1 (0.55) F10TPSAB1LSSATMCHRM1
SCHEMBL7050151 0.89 F10 (0.48) F10TPSAB1LSSHTR7HTR6
SCHEMBL2469023 0.89 F10 (0.61) F10TPSAB1HTR7HTR6
SCHEMBL8118785 0.89 F10 (0.48) F10TPSAB1LSSATMCHRM1
Hydrochloric Acid SCHEMBL7054253 0.88 F10 (0.47) F10TPSAB1LSSCHRM1HTR7
Hydrochloric Acid SCHEMBL6897689 0.88 F10 (0.61) F10TPSAB1HTR7HTR6
Hydrochloric Acid SCHEMBL7050686 0.88 F10 (0.47) F10TPSAB1LSSATMCHRM1
SCHEMBL8125678 0.87 F10 (0.59) F10
SCHEMBL8127279 0.86 F10 (0.46) F10TPSAB1LSSHTR7HTR6
Hydrochloric Acid SCHEMBL6893787 0.84 SMN1; SMN2 (0.49) F10TPSAB1LSSCHRM1HTR7

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-1048652-A1 AROMATIC COMPOUNDS HAVING CYCLIC AMINO OR SALTS THEREOF MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP claimed
EP-1048652-A1 AROMATIC COMPOUNDS HAVING CYCLIC AMINO OR SALTS THEREOF MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed