SCHEMBL9099028

SCHEMBL9099028

O=C(CCl)Nc1ccc(N2CCN(C(=O)CCl)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.71
LMNA P02545 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
ALDH1A1 P00352 1/20 0.71
MAPK1 P28482 1/20 0.59
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 2/20 0.51
USP2 O75604 2/20 0.50
CACNA1G O43497 1/20 0.50
NAMPT P43490 1/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL9568359 0.85 ME2 (0.67) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL22777865 0.83 MAPT (1.00) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL5904008 0.82 MAPT (0.75) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL9568295 0.81 MAPT (0.73) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL6074555 0.81 MAPT (0.73) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL31715873 0.80 NAMPT (0.64) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL2867356 0.80 AKR1C3 (0.69) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10981623 0.80 ME2 (0.64) MAPTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL12916359 0.78 HTT (0.59) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL2878977 0.78 POLB (0.69) MAPTLMNASMN1; SMN2ALDH1A1MAPK1

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
WO-1996026923-A1 NOVEL BI-TRYPTAMINIC DERIVATIVES, PREPARATION PROCESS AND UTILIZATION AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-09-06 WO disclosed