SCHEMBL7603136

SCHEMBL7603136

O=C(O)NCCSc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.73
MTNR1B P49286 1/20 0.73
RAB9A P51151 8/20 0.71
NPC1 O15118 8/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
RECQL P46063 1/20 0.71
HPGD P15428 6/20 0.66
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 6/20 0.61
NFKB1 P19838 2/20 0.61
NFKB2 Q00653 2/20 0.61
RELA Q04206 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP3A4 P08684 1/20 0.61
USP2 O75604 1/20 0.61
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61

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
SCHEMBL10401986 0.86 MTNR1A (0.71) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL6985119 0.85 HDAC3 (0.59) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL21963810 0.85 MTNR1A (0.54) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL14409677 0.85 MTNR1A (0.69) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL10316528 0.85 MTNR1A (1.00) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL11492938 0.83 TEAD1 (0.73) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL18281767 0.83 L3MBTL1 (0.69) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL14241826 0.82 MTNR1A (0.70) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL8017839 0.80 MTNR1A (0.63) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL10421848 0.80 RAB9A (0.72) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP disclosed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 US disclosed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP disclosed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed