SCHEMBL7303078

SCHEMBL7303078

COC(=O)N(c1cccc(C)n1)[C@H](C(=O)O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GBA1 P04062 2/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ SORT1 Q99523 1/20 0.33

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
SCHEMBL7307868 0.89 RAB9A (0.36) RAB9AMEN1KMT2AGRM5OPRM1
SCHEMBL7307862 0.89 RAB9A (0.36) RAB9AMEN1KMT2AGRM5OPRM1
SCHEMBL7279887 0.80 POLB (0.39) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL6650430 0.80 POLB (0.39) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7303471 0.76 HDAC1 (0.35) GRM5
SCHEMBL11199882 0.75 ALDH1A1 (0.42) KMT2ASMN1; SMN2TSHRMAPTADAMTS4
SCHEMBL11024456 0.71 GRM5 (0.35) RAB9AMEN1KMT2AGRM5OPRM1
SCHEMBL6650233 0.69 LIPE (0.40) RAB9AMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7298565 0.68 ATM (0.41) MEN1KMT2A
SCHEMBL28718389 0.67 TSHR (0.42) MEN1KMT2ATSHRADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 — — EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 — — EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 — — US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 — — US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 — — US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 — — US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 — — US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 — — US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 — — US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 — — EP disclosed
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