SCHEMBL7438375

SCHEMBL7438375

O=C(c1ccc(F)cc1)N1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
HSD11B1 P28845 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
EPHX2 P34913 1/20 0.43
RAB9A P51151 2/20 0.42
ATM Q13315 2/20 0.42
LTA4H P09960 2/20 0.42
POLB P06746 1/20 0.41
PRMT5 O14744 1/20 0.41
NPC1 O15118 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
SCHEMBL7435319 0.92 EPHX1 (0.47) DRD3DRD2DRD4ALDH1A1LMNA
SCHEMBL7438480 0.90 LMNA (0.44) DRD3DRD2DRD4ALDH1A1LMNA
SCHEMBL7436670 0.90 NPC1 (0.44) SMN1; SMN2KMT2AMEN1EPHX2RAB9A
SCHEMBL7435567 0.90 TEAD1 (0.46) HSD11B1GAAKMT2AMEN1EPHX2
SCHEMBL7440526 0.88 GAA (0.46) HSD11B1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7438639 0.87 ALDH1A1 (0.47) HSD11B1ALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL7432904 0.86 LTA4H (0.44) DRD4LMNASMN1; SMN2KMT2ALTA4H
SCHEMBL7431389 0.85 HPGD (0.51) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL7432498 0.84 LTA4H (0.52) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL7431782 0.83 SMN1; SMN2 (0.44) ALDH1A1LMNAGAASMN1; SMN2KMT2A

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