SCHEMBL7435917

SCHEMBL7435917

O=C(CN1CCC(NCC(O)C2COc3ccccc3O2)CC1)Nc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 1/20 0.46
AIMP2 Q13155 1/20 0.44
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
HTT P42858 2/20 0.40
RECQL P46063 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL7443888 0.93 POLB (0.48) POLBLMNANPSR1RAB9AALDH1A1
SCHEMBL7495736 0.92 TSHR (0.49) POLBATMLMNANPSR1TSHR
SCHEMBL7439415 0.92 POLB (0.49) POLBATMLMNANPSR1AIMP2
SCHEMBL7447128 0.92 RAB9A (0.52) POLBLMNANPSR1RAB9AALDH1A1
SCHEMBL7428136 0.91 POLB (0.48) POLBLMNANPSR1TSHRRAB9A
SCHEMBL7434360 0.91 POLB (0.59) POLBATMLMNATSHRRAB9A
SCHEMBL7447951 0.91 DRD4 (0.50) POLBLMNANPSR1TSHRAIMP2
SCHEMBL7434317 0.89 POLB (0.46) POLBATMLMNANPSR1AIMP2
SCHEMBL7446327 0.89 SMN1; SMN2 (0.52) POLBTSHRRAB9AALDH1A1L3MBTL1
SCHEMBL7430181 0.89 POLB (0.48) POLBLMNANPSR1TSHRAIMP2

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