SCHEMBL7307062

SCHEMBL7307062

CCOC(=O)C(=O)N1CCc2ccc(NC(=O)c3ccc(C#N)cc3)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TP53 P04637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MCHR1 Q99705 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ POLB P06746 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
SCHEMBL7298730 0.75 KDM4E (0.54) MAPTNPC1RAB9AMCHR1MEN1
Hydrochloric Acid SCHEMBL7323352 0.74 KDM4E (0.53) MAPTNPC1RAB9AMCHR1MEN1
Hydrochloric Acid SCHEMBL7307645 0.73 TNF (0.40) LMNAMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8841261 0.71 ITGB3 (0.57) —
SCHEMBL2836025 0.70 SMN1; SMN2 (0.70) MAPTLMNATP53NPC1RAB9A
SCHEMBL20535966 0.69 MAPT (0.55) MAPTLMNATP53NPC1RAB9A
SCHEMBL7306495 0.69 MCHR1 (0.61) MCHR1
SCHEMBL7328382 0.69 ITGB3 (0.47) MAPTLMNATP53NPC1RAB9A
SCHEMBL7395413 0.69 MAPT (0.43) MAPTLMNATP53NPC1RAB9A
SCHEMBL6949063 0.68 ITGB3 (0.56) MAPTNPC1RAB9ASMN1; SMN2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 — — EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 — — US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 — — EP disclosed
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