SCHEMBL7437941

SCHEMBL7437941

O=C(CN1CCC(NCC(O)C2COc3cc(Cl)ccc3O2)CC1)Nc1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 8/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
USP2 O75604 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.37
DRD4 P21917 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7495736 0.92 TSHR (0.49) TSHRLMNANPSR1ALDH1A1L3MBTL1
SCHEMBL7429340 0.90 POLB (0.49) TSHRLMNANPSR1ALDH1A1L3MBTL1
SCHEMBL7439355 0.87 ALDH1A1 (0.41) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL10996565 0.87 TSHR (0.46) TSHRLMNANPSR1ALDH1A1KMT2A
SCHEMBL7440410 0.85 ALDH1A1 (0.46) TSHRLMNANPSR1ALDH1A1KMT2A
SCHEMBL7435917 0.84 POLB (0.48) TSHRLMNANPSR1ALDH1A1L3MBTL1
SCHEMBL7447951 0.83 DRD4 (0.50) TSHRLMNANPSR1ALDH1A1L3MBTL1
SCHEMBL7446165 0.83 TSHR (0.43) TSHRLMNANPSR1ALDH1A1L3MBTL1
SCHEMBL7434360 0.82 POLB (0.59) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL7434220 0.81 SMN1; SMN2 (0.48) TSHRALDH1A1KMT2AMAPTMAPK1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed